UCSF

ZINC14955547

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 26 Yes

Popular Name: Gendenafil Gendenafil

Find On: PubMed — Wikipedia — Google

CAS Numbers: 147676-66-2 , [147676-66-2]

Other Names:

MFCD11977918

Download: MOL2 SDF SMILES Flexibase

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 7.49 -15.28 1 7 0 90 354.41 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE5A-1-E Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic Eukaryotes 17 0.42 Binding ≤ 10μM
PDE6C-1-E Phosphodiesterase 6C (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 17 0.42 Binding ≤ 1μM
PDE6C_HUMAN P51160 Phosphodiesterase 6C, Human 0.9 0.49 Binding ≤ 1μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 17 0.42 Binding ≤ 10μM
PDE6C_HUMAN P51160 Phosphodiesterase 6C, Human 0.9 0.49 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects

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