ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	7	0.57	Binding ≤ 10μM
PDE11-1-E	Phosphodiesterase 11A (cluster #1 Of 1), Eukaryotic	Eukaryotes	779	0.43	Binding ≤ 10μM
PDE2A-1-E	Phosphodiesterase 2A (cluster #1 Of 1), Eukaryotic	Eukaryotes	239	0.46	Binding ≤ 10μM
PDE3A-2-E	Phosphodiesterase 3A (cluster #2 Of 2), Eukaryotic	Eukaryotes	3700	0.38	Binding ≤ 10μM
PDE4A-3-E	Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic	Eukaryotes	5000	0.37	Binding ≤ 10μM
PDE5A-1-E	Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic	Eukaryotes	919	0.42	Binding ≤ 10μM
PDE7B-1-E	Phosphodiesterase 7B (cluster #1 Of 1), Eukaryotic	Eukaryotes	3100	0.39	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.81	6.48	-10.31	0	5	0	52	270.336	3	↓ MOL2 SDF SMILES Flexibase

39124200

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Chembo Pharma
- KB-293119
Chemstep
- 79147

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	33	0.58	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.41	7.83	-11.86	0	4	0	43	240.31	2	↓ MOL2 SDF SMILES Flexibase

18324776

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Popular Name: Vardenafil Vardenafil

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And 43 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNCG-1-E	Phosphodiesterase 6H (cluster #1 Of 1), Eukaryotic	Eukaryotes	11	0.33	Binding ≤ 10μM
CNRG-1-E	Phosphodiesterase 6G (cluster #1 Of 1), Eukaryotic	Eukaryotes	11	0.33	Binding ≤ 10μM
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	790	0.25	Binding ≤ 10μM
PDE11-1-E	Phosphodiesterase 11A (cluster #1 Of 1), Eukaryotic	Eukaryotes	130	0.28	Binding ≤ 10μM
PDE1A-1-E	Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	230	0.27	Binding ≤ 10μM
PDE1B-1-E	Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic	Eukaryotes	230	0.27	Binding ≤ 10μM
PDE1C-1-E	Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic	Eukaryotes	230	0.27	Binding ≤ 10μM
PDE3A-1-E	Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic	Eukaryotes	2100	0.23	Binding ≤ 10μM
PDE3B-1-E	Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic	Eukaryotes	2100	0.23	Binding ≤ 10μM
PDE4A-3-E	Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic	Eukaryotes	4500	0.22	Binding ≤ 10μM
PDE4B-1-E	Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic	Eukaryotes	4500	0.22	Binding ≤ 10μM
PDE4C-1-E	Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic	Eukaryotes	4500	0.22	Binding ≤ 10μM
PDE4D-1-E	Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic	Eukaryotes	4500	0.22	Binding ≤ 10μM
PDE5A-1-E	Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.37	Binding ≤ 10μM
PDE6A-1-E	Rod CGMP-specific 3',5'-cyclic Phosphodiesterase Subunit Alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	11	0.33	Binding ≤ 10μM
PDE6B-1-E	Phosphodiesterase 6B (cluster #1 Of 1), Eukaryotic	Eukaryotes	11	0.33	Binding ≤ 10μM
PDE6C-1-E	Phosphodiesterase 6C (cluster #1 Of 1), Eukaryotic	Eukaryotes	11	0.33	Binding ≤ 10μM
PDE6D-1-E	Phosphodiesterase 6D (cluster #1 Of 1), Eukaryotic	Eukaryotes	11	0.33	Binding ≤ 10μM
PDE9A-1-E	Phosphodiesterase 9A (cluster #1 Of 1), Eukaryotic	Eukaryotes	460	0.26	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.56	6.46	-15.5	1	10	0	113	488.614	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.01	4.67	-56.65	0	10	-1	116	487.606	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.56	8.68	-54.65	2	10	1	114	489.622	8	↓ MOL2 SDF SMILES Flexibase

3154141

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	0.40	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.85	-1.72	-11.45	2	5	0	69	340.184	1	↓ MOL2 SDF SMILES Flexibase

3141002

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	4500	0.31	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	-0.59	-12.61	2	7	0	87	321.34	3	↓ MOL2 SDF SMILES Flexibase

6206233

Analogs

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Popular Name: ethyl ethyl

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And 2 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.37	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.42	0.77	-12.62	0	6	0	69	302.359	5	↓ MOL2 SDF SMILES Flexibase

9937921

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	1800	0.50	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.18	7.44	-10.5	0	4	0	43	230.296	1	↓ MOL2 SDF SMILES Flexibase

9939949

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And 6 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	2400	0.46	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.55	8.31	-10.3	0	4	0	43	244.323	2	↓ MOL2 SDF SMILES Flexibase

2968902

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	310	0.51	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.96	0.99	-12.55	0	5	0	66	255.306	2	↓ MOL2 SDF SMILES Flexibase

14728559

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AKOS (make-on-demand)
- AKOS002557969

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	2500	0.34	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	6.74	-11.18	0	6	0	56	329.429	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.05	9.02	-46.75	1	6	1	57	330.437	4	↓ MOL2 SDF SMILES Flexibase

424907

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	380	0.41	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	9.57	-12.2	0	5	0	56	307.382	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.48	9.85	-42.41	1	5	1	57	308.39	3	↓ MOL2 SDF SMILES Flexibase

13229753

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	110	0.39	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	-2.29	-15.02	0	6	0	69	347.403	3	↓ MOL2 SDF SMILES Flexibase

44924158

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AKOS (make-on-demand)
- AKOS008593853

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	55	0.41	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.45	12.3	-23.01	0	7	0	73	347.407	3	↓ MOL2 SDF SMILES Flexibase

8747709

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	15	0.44	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.37	-0.11	-17.51	0	6	0	60	346.419	3	↓ MOL2 SDF SMILES Flexibase

19796168

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNCG-1-E	Phosphodiesterase 6H (cluster #1 Of 1), Eukaryotic	Eukaryotes	50	0.31	Binding ≤ 10μM
CNRG-1-E	Phosphodiesterase 6G (cluster #1 Of 1), Eukaryotic	Eukaryotes	50	0.31	Binding ≤ 10μM
E1BN64-1-E	Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic	Eukaryotes	9200	0.21	Binding ≤ 10μM
KCNH2-1-E	HERG (cluster #1 Of 5), Eukaryotic	Eukaryotes	5480	0.22	Binding ≤ 10μM
O77823-1-E	Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic	Eukaryotes	4600	0.23	Binding ≤ 10μM
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	3100	0.23	Binding ≤ 10μM
PDE11-1-E	Phosphodiesterase 11A (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.23	Binding ≤ 10μM
PDE1A-1-E	Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	400	0.27	Binding ≤ 10μM
PDE1B-1-E	Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic	Eukaryotes	300	0.28	Binding ≤ 10μM
PDE1C-1-E	Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic	Eukaryotes	300	0.28	Binding ≤ 10μM
PDE3A-1-E	Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic	Eukaryotes	7000	0.22	Binding ≤ 10μM
PDE3B-1-E	Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic	Eukaryotes	7000	0.22	Binding ≤ 10μM
PDE4A-3-E	Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic	Eukaryotes	4600	0.23	Binding ≤ 10μM
PDE4B-1-E	Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic	Eukaryotes	9600	0.21	Binding ≤ 10μM
PDE4C-1-E	Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic	Eukaryotes	9600	0.21	Binding ≤ 10μM
PDE4D-1-E	Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic	Eukaryotes	9600	0.21	Binding ≤ 10μM
PDE5A-1-E	Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.35	Binding ≤ 10μM
PDE6A-1-E	Rod CGMP-specific 3',5'-cyclic Phosphodiesterase Subunit Alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	50	0.31	Binding ≤ 10μM
PDE6B-1-E	Phosphodiesterase 6B (cluster #1 Of 1), Eukaryotic	Eukaryotes	50	0.31	Binding ≤ 10μM
PDE6C-1-E	Phosphodiesterase 6C (cluster #1 Of 1), Eukaryotic	Eukaryotes	50	0.31	Binding ≤ 10μM
PDE6D-1-E	Phosphodiesterase 6D (cluster #1 Of 1), Eukaryotic	Eukaryotes	74	0.30	Binding ≤ 10μM
PDE9A-1-E	Phosphodiesterase 9A (cluster #1 Of 1), Eukaryotic	Eukaryotes	3400	0.23	Binding ≤ 10μM
Q864F1-1-E	Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	11	0.34	Binding ≤ 10μM
Q9EPR9-1-E	Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	300	0.28	Binding ≤ 10μM
PDE5A-1-E	Phosphodiesterase 5A (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.34	Functional ≤ 10μM
Q864F1-1-E	Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	19	0.33	Functional ≤ 10μM
Z50590-1-O	Sus Scrofa (cluster #1 Of 1), Other	Other	38	0.31	Functional ≤ 10μM
Z50592-1-O	Oryctolagus Cuniculus (cluster #1 Of 8), Other	Other	8	0.34	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	4.42	-15.04	1	10	0	113	474.587	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.51	4.17	-20.18	1	10	0	113	474.587	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.97	2.87	-54.77	0	10	-1	117	473.579	7	↓ MOL2 SDF SMILES Flexibase

56555

Analogs

39289604
39289747

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KCNH2-5-E	HERG (cluster #5 Of 5), Eukaryotic	Eukaryotes	7244	0.29	Binding ≤ 10μM
O77823-1-E	Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic	Eukaryotes	1700	0.32	Binding ≤ 10μM
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	76	0.40	Binding ≤ 10μM
PDE1A-1-E	Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	9000	0.28	Binding ≤ 10μM
PDE1B-1-E	Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic	Eukaryotes	9000	0.28	Binding ≤ 10μM
PDE1C-1-E	Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic	Eukaryotes	9000	0.28	Binding ≤ 10μM
PDE2A-1-E	Phosphodiesterase 2A (cluster #1 Of 1), Eukaryotic	Eukaryotes	2300	0.32	Binding ≤ 10μM
PDE3A-2-E	Phosphodiesterase 3A (cluster #2 Of 2), Eukaryotic	Eukaryotes	917	0.34	Binding ≤ 10μM
PDE3B-2-E	Phosphodiesterase 3B (cluster #2 Of 2), Eukaryotic	Eukaryotes	6600	0.29	Binding ≤ 10μM
PDE4A-1-E	Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
PDE4B-1-E	Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic	Eukaryotes	6600	0.29	Binding ≤ 10μM
PDE4C-1-E	Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic	Eukaryotes	6600	0.29	Binding ≤ 10μM
PDE4D-1-E	Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic	Eukaryotes	6600	0.29	Binding ≤ 10μM
Q864F1-1-E	Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8800	0.28	Binding ≤ 10μM
Q9XSW7-1-E	Phosphodiesterase 3A (cluster #1 Of 1), Eukaryotic	Eukaryotes	620	0.35	Binding ≤ 10μM
PDE1B-1-E	Phosphodiesterase 1B (cluster #1 Of 2), Eukaryotic	Eukaryotes	550	0.35	Functional ≤ 10μM
PDE3A-1-E	Phosphodiesterase 3A (cluster #1 Of 1), Eukaryotic	Eukaryotes	550	0.35	Functional ≤ 10μM
PDE3B-1-E	Phosphodiesterase 3B (cluster #1 Of 1), Eukaryotic	Eukaryotes	550	0.35	Functional ≤ 10μM
Z102333-1-O	Ileum (cluster #1 Of 1), Other	Other	1550	0.33	Functional ≤ 10μM
Z102380-2-O	Ileum (cluster #2 Of 3), Other	Other	4230	0.30	Functional ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	7943	0.29	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	1550	0.33	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	7.44	-12.61	0	5	0	50	339.391	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.52	7.64	-41.45	1	5	1	51	340.399	6	↓ MOL2 SDF SMILES Flexibase

14956507

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	64	0.34	Binding ≤ 10μM
PDE3A-1-E	Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic	Eukaryotes	211	0.31	Binding ≤ 10μM
PDE3B-1-E	Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic	Eukaryotes	273	0.31	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.66	6.07	-11.11	0	8	0	83	403.442	5	↓ MOL2 SDF SMILES Flexibase

5794229

Analogs

2785469

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	400	0.39	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.32	0.84	-55.48	0	3	-1	53	304.369	4	↓ MOL2 SDF SMILES Flexibase

35859742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: PF-2545920 PF-2545920

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Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.40	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.22	11.18	-12.98	0	5	0	53	392.462	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.22	11.66	-44.46	1	5	1	54	393.47	5	↓ MOL2 SDF SMILES Flexibase

643046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Dipyridamole Dipyridamole

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Vendors

And 50 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNCG-1-E	Phosphodiesterase 6H (cluster #1 Of 1), Eukaryotic	Eukaryotes	125	0.27	Binding ≤ 10μM
CNRG-1-E	Phosphodiesterase 6G (cluster #1 Of 1), Eukaryotic	Eukaryotes	125	0.27	Binding ≤ 10μM
O77823-1-E	Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic	Eukaryotes	6400	0.20	Binding ≤ 10μM
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	0.23	Binding ≤ 10μM
PDE11-1-E	Phosphodiesterase 11A (cluster #1 Of 1), Eukaryotic	Eukaryotes	400	0.25	Binding ≤ 10μM
PDE2A-1-E	Phosphodiesterase 2A (cluster #1 Of 1), Eukaryotic	Eukaryotes	4000	0.21	Binding ≤ 10μM
PDE4A-3-E	Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic	Eukaryotes	500	0.25	Binding ≤ 10μM
PDE4B-2-E	Phosphodiesterase 4B (cluster #2 Of 2), Eukaryotic	Eukaryotes	500	0.25	Binding ≤ 10μM
PDE4C-2-E	Phosphodiesterase 4C (cluster #2 Of 2), Eukaryotic	Eukaryotes	500	0.25	Binding ≤ 10μM
PDE4D-2-E	Phosphodiesterase 4D (cluster #2 Of 2), Eukaryotic	Eukaryotes	500	0.25	Binding ≤ 10μM
PDE6A-1-E	Rod CGMP-specific 3',5'-cyclic Phosphodiesterase Subunit Alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	125	0.27	Binding ≤ 10μM
PDE6B-1-E	Phosphodiesterase 6B (cluster #1 Of 1), Eukaryotic	Eukaryotes	125	0.27	Binding ≤ 10μM
PDE6C-1-E	Phosphodiesterase 6C (cluster #1 Of 1), Eukaryotic	Eukaryotes	125	0.27	Binding ≤ 10μM
PDE6D-1-E	Phosphodiesterase 6D (cluster #1 Of 1), Eukaryotic	Eukaryotes	125	0.27	Binding ≤ 10μM
PDE7A-1-E	Phosphodiesterase 7A (cluster #1 Of 1), Eukaryotic	Eukaryotes	600	0.24	Binding ≤ 10μM
PDE7B-1-E	Phosphodiesterase 7B (cluster #1 Of 1), Eukaryotic	Eukaryotes	600	0.24	Binding ≤ 10μM
PDE8A-1-E	Phosphodiesterase 8A (cluster #1 Of 1), Eukaryotic	Eukaryotes	9000	0.20	Binding ≤ 10μM
PDE8B-1-E	Phosphodiesterase 8B (cluster #1 Of 1), Eukaryotic	Eukaryotes	9000	0.20	Binding ≤ 10μM
Q864F1-1-E	Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	574	0.24	Binding ≤ 10μM
S29A1-1-E	Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.31	Binding ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	3162	0.21	Functional ≤ 10μM
Z80193-2-O	L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other	Other	340	0.25	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.59	5.47	-11.01	4	12	0	145	504.636	12	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = PDE10_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'PDE10\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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