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
Mid Mid (pH 6-8)	2.51	6.79	-54.65	2	10	1	115	475.595	7	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
ALOGPS_SOLUBILITY	4.33e-01 g/l	DrugBank-approved
Purity	99%	APIChem
therap	erectile dysfunction therapy	MicroSource Spectrum
Therapy	impotency therapy	SMDC Iconix
Target	PDE	Selleck Chemicals
UniProt Database Links	PDE11_HUMAN; PDE5A_HUMAN	ChEBI
mechanism	Selective inhibitor of cyclic GMP specific phosphodiesterase (Type V)	IBScreen Bioactives
biological_use	Used to treat male erectile dysfunction (impotence) and pulmonary arterial hypertension (PAH)	IBScreen Bioactives
mechanism	Vasodilator	IBScreen Bioactives IBScreen Bioactives

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	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

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE1A_BOVIN	P14100	Phosphodiesterase 1A, Bovin	400	0.27	Binding ≤ 1μM
PDE1A_HUMAN	P54750	Phosphodiesterase 1A, Human	270	0.28	Binding ≤ 1μM
Q9EPR9_RAT	Q9EPR9	Phosphodiesterase 1A, Rat	260	0.28	Binding ≤ 1μM
PDE1B_RAT	Q01066	Phosphodiesterase 1B, Rat	260	0.28	Binding ≤ 1μM
PDE1B_HUMAN	Q01064	Phosphodiesterase 1B, Human	270	0.28	Binding ≤ 1μM
PDE1B_BOVIN	Q01061	Phosphodiesterase 1B, Bovin	400	0.27	Binding ≤ 1μM
PDE1C_RAT	Q63421	Phosphodiesterase 1C, Rat	260	0.28	Binding ≤ 1μM
PDE1C_HUMAN	Q14123	Phosphodiesterase 1C, Human	270	0.28	Binding ≤ 1μM
Q864F1_PIG	Q864F1	Phosphodiesterase 5, Pig	2.2	0.37	Binding ≤ 1μM
PDE5A_HUMAN	O76074	Phosphodiesterase 5A, Human	1	0.38	Binding ≤ 1μM
PDE5A_RAT	O54735	Phosphodiesterase 5A, Rat	0.3	0.40	Binding ≤ 1μM
PDE5A_BOVIN	Q28156	Phosphodiesterase 5A, Bovin	10	0.34	Binding ≤ 1μM
PDE6A_BOVIN	P11541	Phosphodiesterase 6A, Bovin	140	0.29	Binding ≤ 1μM
PDE6A_HUMAN	P16499	Phosphodiesterase 6A, Human	25	0.32	Binding ≤ 1μM
PDE6B_HUMAN	P35913	Phosphodiesterase 6B, Human	25	0.32	Binding ≤ 1μM
PDE6B_BOVIN	P23439	Phosphodiesterase 6B, Bovin	19.77	0.33	Binding ≤ 1μM
PDE6C_HUMAN	P51160	Phosphodiesterase 6C, Human	160	0.29	Binding ≤ 1μM
PDE6C_BOVIN	P16586	Phosphodiesterase 6C, Bovin	19.77	0.33	Binding ≤ 1μM
PDE6D_BOVIN	Q95142	Phosphodiesterase 6D, Bovin	19.77	0.33	Binding ≤ 1μM
PDE6D_HUMAN	O43924	Phosphodiesterase 6D, Human	25	0.32	Binding ≤ 1μM
CNRG_BOVIN	P04972	Phosphodiesterase 6G, Bovin	19.77	0.33	Binding ≤ 1μM
CNRG_HUMAN	P18545	Phosphodiesterase 6G, Human	25	0.32	Binding ≤ 1μM
CNCG_BOVIN	P22571	Phosphodiesterase 6H, Bovin	19.77	0.33	Binding ≤ 1μM
CNCG_HUMAN	Q13956	Phosphodiesterase 6H, Human	25	0.32	Binding ≤ 1μM
KCNH2_HUMAN	Q12809	HERG, Human	3299.97006	0.23	Binding ≤ 10μM
PDE10_HUMAN	Q9Y233	Phosphodiesterase 10A, Human	3100	0.23	Binding ≤ 10μM
PDE11_HUMAN	Q9HCR9	Phosphodiesterase 11A, Human	2300	0.24	Binding ≤ 10μM
PDE1A_HUMAN	P54750	Phosphodiesterase 1A, Human	1100	0.25	Binding ≤ 10μM
PDE1A_BOVIN	P14100	Phosphodiesterase 1A, Bovin	1100	0.25	Binding ≤ 10μM
Q9EPR9_RAT	Q9EPR9	Phosphodiesterase 1A, Rat	260	0.28	Binding ≤ 10μM
PDE1B_RAT	Q01066	Phosphodiesterase 1B, Rat	260	0.28	Binding ≤ 10μM
PDE1B_HUMAN	Q01064	Phosphodiesterase 1B, Human	1100	0.25	Binding ≤ 10μM
PDE1B_BOVIN	Q01061	Phosphodiesterase 1B, Bovin	1100	0.25	Binding ≤ 10μM
PDE1C_RAT	Q63421	Phosphodiesterase 1C, Rat	260	0.28	Binding ≤ 10μM
PDE1C_HUMAN	Q14123	Phosphodiesterase 1C, Human	1100	0.25	Binding ≤ 10μM
PDE3A_HUMAN	Q14432	Phosphodiesterase 3A, Human	7000	0.22	Binding ≤ 10μM
E1BN64_BOVIN	E1BN64	Phosphodiesterase 3B, Bovin	7000	0.22	Binding ≤ 10μM
PDE3B_HUMAN	Q13370	Phosphodiesterase 3B, Human	7000	0.22	Binding ≤ 10μM
PDE4A_RAT	P54748	Phosphodiesterase 4A, Rat	4600	0.23	Binding ≤ 10μM
PDE4A_HUMAN	P27815	Phosphodiesterase 4A, Human	4600	0.23	Binding ≤ 10μM
O77823_PIG	O77823	Phosphodiesterase 4A, Pig	4600	0.23	Binding ≤ 10μM
PDE4B_RAT	P14646	Phosphodiesterase 4B, Rat	4600	0.23	Binding ≤ 10μM
PDE4B_HUMAN	Q07343	Phosphodiesterase 4B, Human	4600	0.23	Binding ≤ 10μM
PDE4C_RAT	P14644	Phosphodiesterase 4C, Rat	4600	0.23	Binding ≤ 10μM
PDE4C_HUMAN	Q08493	Phosphodiesterase 4C, Human	4600	0.23	Binding ≤ 10μM
PDE4D_RAT	P14270	Phosphodiesterase 4D, Rat	4600	0.23	Binding ≤ 10μM
PDE4D_HUMAN	Q08499	Phosphodiesterase 4D, Human	4600	0.23	Binding ≤ 10μM
Q864F1_PIG	Q864F1	Phosphodiesterase 5, Pig	2.2	0.37	Binding ≤ 10μM
PDE5A_RAT	O54735	Phosphodiesterase 5A, Rat	0.3	0.40	Binding ≤ 10μM
PDE5A_BOVIN	Q28156	Phosphodiesterase 5A, Bovin	10	0.34	Binding ≤ 10μM
PDE5A_HUMAN	O76074	Phosphodiesterase 5A, Human	1	0.38	Binding ≤ 10μM
PDE6A_HUMAN	P16499	Phosphodiesterase 6A, Human	25	0.32	Binding ≤ 10μM
PDE6A_BOVIN	P11541	Phosphodiesterase 6A, Bovin	140	0.29	Binding ≤ 10μM
PDE6B_HUMAN	P35913	Phosphodiesterase 6B, Human	25	0.32	Binding ≤ 10μM
PDE6B_BOVIN	P23439	Phosphodiesterase 6B, Bovin	19.77	0.33	Binding ≤ 10μM
PDE6C_BOVIN	P16586	Phosphodiesterase 6C, Bovin	19.77	0.33	Binding ≤ 10μM
PDE6C_HUMAN	P51160	Phosphodiesterase 6C, Human	160	0.29	Binding ≤ 10μM
PDE6D_HUMAN	O43924	Phosphodiesterase 6D, Human	25	0.32	Binding ≤ 10μM
PDE6D_BOVIN	Q95142	Phosphodiesterase 6D, Bovin	19.77	0.33	Binding ≤ 10μM
CNRG_BOVIN	P04972	Phosphodiesterase 6G, Bovin	19.77	0.33	Binding ≤ 10μM
CNRG_HUMAN	P18545	Phosphodiesterase 6G, Human	25	0.32	Binding ≤ 10μM
CNCG_HUMAN	Q13956	Phosphodiesterase 6H, Human	25	0.32	Binding ≤ 10μM
CNCG_BOVIN	P22571	Phosphodiesterase 6H, Bovin	19.77	0.33	Binding ≤ 10μM
PDE9A_HUMAN	O76083	Phosphodiesterase 9A, Human	3400	0.23	Binding ≤ 10μM
Z50592	Z50592	Oryctolagus Cuniculus	19	0.33	Functional ≤ 10μM
Q864F1_PIG	Q864F1	Phosphodiesterase 5, Pig	19	0.33	Functional ≤ 10μM
PDE5A_HUMAN	O76074	Phosphodiesterase 5A, Human	19	0.33	Functional ≤ 10μM
Z50590	Z50590	Sus Scrofa	38	0.31	Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description	Species
Activation of the phototransduction cascade	Bos taurus (CNRG_BOVIN) Homo sapiens (PDE6A_HUMAN)
Ca2+ pathway	Bos taurus (CNRG_BOVIN) Homo sapiens (PDE6A_HUMAN)
Cam-PDE 1 activation	Homo sapiens (PDE1A_HUMAN) Bos taurus (PDE1A_BOVIN) Rattus norvegicus (PDE1B_RAT)
cGMP effects	Rattus norvegicus (PDE1B_RAT) Homo sapiens (PDE5A_HUMAN) Bos taurus (E1BN64_BOVIN)
DARPP-32 events	Rattus norvegicus (PDE4D_RAT) Homo sapiens (PDE4A_HUMAN) Sus scrofa (O77823_PIG)
G alpha (s) signalling events	Homo sapiens (PDE4A_HUMAN) Sus scrofa (O77823_PIG) Bos taurus (E1BN64_BOVIN) Rattus norvegicus (PDE4D_RAT)
Inactivation, recovery and regulation of the phototransduction cascade	Bos taurus (CNRG_BOVIN) Homo sapiens (PDE6A_HUMAN)
PDE3B signalling	Homo sapiens (PDE3B_HUMAN) Bos taurus (E1BN64_BOVIN)
Voltage gated Potassium channels	Homo sapiens (KCNH2_HUMAN)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.

Synonyms (105)
Vendors (28)
Annotations (28)
Representations (4)
Notes (9)
Targets (68)
Clustered (28)
Reactome (9)
Rings (0)
Analogs (0)