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12402866

Analogs

12501894
12501896
16052089
26268219
26268226

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Popular Name: Cyclic GMP Cyclic GMP

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
E1BN64-1-E	Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic	Eukaryotes	100	0.43	Binding ≤ 10μM
PDE3A-1-E	Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic	Eukaryotes	2400	0.34	Binding ≤ 10μM
PDE3B-1-E	Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic	Eukaryotes	2400	0.34	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
E1BN64_BOVIN	E1BN64	Phosphodiesterase 3B, Bovin	100	0.43	Binding ≤ 1μM
PDE3A_HUMAN	Q14432	Phosphodiesterase 3A, Human	2400	0.34	Binding ≤ 10μM
E1BN64_BOVIN	E1BN64	Phosphodiesterase 3B, Bovin	100	0.43	Binding ≤ 10μM
PDE3B_HUMAN	Q13370	Phosphodiesterase 3B, Human	2400	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)	-2.87	-8.07	-59.49	4	12	-1	178	344.2	1	↓ MOL2 SDF SMILES Flexibase

69953138

Analogs

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Popular Name: 2-amino-9-[(1S,3S,6S,8R,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl 2-amino-9-[(1S,3S,6S,8R,9R)-3,9-…

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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)	-2.87	-0.64	-64.14	4	12	-1	178	344.2	1	↓ MOL2 SDF SMILES Flexibase

69953139

Analogs

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Popular Name: 2-amino-9-[(1S,3R,6S,8R,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl 2-amino-9-[(1S,3R,6S,8R,9R)-3,9-…

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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)	-2.87	-0.64	-64.13	4	12	-1	178	344.2	1	↓ MOL2 SDF SMILES Flexibase

37250149

Analogs

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Popular Name: 9-[(1R,3S,6S,8S,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-3H-pur 9-[(1R,3S,6S,8S,9R)-3,9-dihydrox…

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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)	-2.57	-4.83	-89.36	2	12	-2	175	344.176	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-3.03	-2.79	-54.68	3	12	-1	172	345.184	1	↓ MOL2 SDF SMILES Flexibase

37250152

Analogs

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Popular Name: 9-[(1R,3S,6S,8R,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-3H-pur 9-[(1R,3S,6S,8R,9R)-3,9-dihydrox…

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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)	-2.57	-5.48	-90.56	2	12	-2	175	344.176	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-3.03	-3.45	-56.26	3	12	-1	172	345.184	1	↓ MOL2 SDF SMILES Flexibase

37250155

Analogs

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Popular Name: 9-[(1R,3S,6S,8S,9S)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-3H-pur 9-[(1R,3S,6S,8S,9S)-3,9-dihydrox…

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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)	-2.57	-4.6	-90.98	2	12	-2	175	344.176	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-3.03	-2.56	-55.86	3	12	-1	172	345.184	1	↓ MOL2 SDF SMILES Flexibase

37250158

Analogs

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Popular Name: 9-[(1R,3S,6S,8R,9S)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-3H-pur 9-[(1R,3S,6S,8R,9S)-3,9-dihydrox…

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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)	-2.57	-4.55	-92.14	2	12	-2	175	344.176	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-3.03	-2.52	-58.81	3	12	-1	172	345.184	1	↓ MOL2 SDF SMILES Flexibase

38580929

Analogs

42854005

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Popular Name: 2-amino-8-(2-aminoethylsulfanyl)-9-[(1R,4S,6S,7R,8R)-4,7-dihydroxy-4-oxo-3,5,9-trioxa-4$l^{5}-phosph 2-amino-8-(2-aminoethylsulfanyl)…

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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)	-3.15	-2.1	-84.23	7	13	0	205	420.344	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.15	-2.49	-61.13	6	13	-1	204	419.336	4	↓ MOL2 SDF SMILES Flexibase

38580939

Analogs

42854023

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Popular Name: 1,2-diamino-9-[(1S,3S,6R,8R,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan- 1,2-diamino-9-[(1S,3S,6R,8R,9R)-…

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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)	-3.42	-0.71	-57.77	5	13	-1	193	359.215	1	↓ MOL2 SDF SMILES Flexibase

38580942

Analogs

42854033

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Popular Name: [(1R,3S,6R,8R,9R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicycl [(1R,3S,6R,8R,9R)-8-(2-amino-6-o…

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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)	-2.25	1.58	-93.7	7	15	0	223	487.41	9	↓ MOL2 SDF SMILES Flexibase

38580946

Analogs

42854045

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Popular Name: 2-(6-aminohexylamino)-9-[(1S,3S,6R,8R,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4. 2-(6-aminohexylamino)-9-[(1S,3S,…

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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)	-1.72	1.71	-91.34	6	13	0	191	444.385	8	↓ MOL2 SDF SMILES Flexibase

38580949

Analogs

42854053

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Popular Name: [(1R,3S,6R,8R,9R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicycl [(1R,3S,6R,8R,9R)-8-(2-amino-6-o…

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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	-1.53	-97.03	7	15	0	223	431.302	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.80	-1.91	-58.87	6	15	-1	222	430.294	5	↓ MOL2 SDF SMILES Flexibase