UCSF

ZINC28341241

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 25 Yes

Popular Name: 7-cyclopentyl-2-(2-ethoxyphenyl)-5-methyl-imidazo[5,1-f][1,2,4]triazin-4-ol 7-cyclopentyl-2-(2-ethoxyphenyl)…

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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) 3.32 8.19 -13.67 1 6 0 72 338.411 4 ↓
Hi High (pH 8-9.5) 3.78 7.75 -54.05 0 6 -1 75 337.403 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE1A-1-E Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.42 Binding ≤ 10μM
PDE1B-1-E Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.42 Binding ≤ 10μM
PDE1C-1-E Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.42 Binding ≤ 10μM
PDE5A-1-E Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic Eukaryotes 5 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE1A_HUMAN P54750 Phosphodiesterase 1A, Human 30 0.42 Binding ≤ 1μM
PDE1B_HUMAN Q01064 Phosphodiesterase 1B, Human 30 0.42 Binding ≤ 1μM
PDE1C_HUMAN Q14123 Phosphodiesterase 1C, Human 30 0.42 Binding ≤ 1μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 5 0.46 Binding ≤ 1μM
PDE1A_HUMAN P54750 Phosphodiesterase 1A, Human 30 0.42 Binding ≤ 10μM
PDE1B_HUMAN Q01064 Phosphodiesterase 1B, Human 30 0.42 Binding ≤ 10μM
PDE1C_HUMAN Q14123 Phosphodiesterase 1C, Human 30 0.42 Binding ≤ 10μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 5 0.46 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Cam-PDE 1 activation
cGMP effects
G alpha (s) signalling events

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