UCSF

ZINC03357513

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 23 Yes

Popular Name: [2-(3-pyridyl)quinazolin-4-yl]-(2-thenyl)amine [2-(3-pyridyl)quinazolin-4-yl]-(…

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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) 3.86 9.15 -9.8 1 4 0 51 318.405 4 ↓
Lo Low (pH 4.5-6) 3.86 9.5 -26.35 2 4 1 52 319.413 4 ↓

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 360 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 360 0.39 Binding ≤ 1μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 360 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects

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

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