UCSF

ZINC29488267

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 22 Yes

Popular Name: 5-(2-Ethoxyphenyl)-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one 5-(2-Ethoxyphenyl)-3-propyl-1,6-…

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CAS Number: 139756-30-2

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) 3.72 4.08 -51.84 1 6 -1 87 297.338 5 ↓
Mid Mid (pH 6-8) 3.26 5.7 -9.97 2 6 0 84 298.346 5 ↓
Mid Mid (pH 6-8) 3.26 6.08 -14.02 2 6 0 84 298.346 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE1B-1-E Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic Eukaryotes 860 0.39 Binding ≤ 10μM
PDE1C-1-E Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic Eukaryotes 860 0.39 Binding ≤ 10μM
PDE5A-1-E Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic Eukaryotes 82 0.45 Binding ≤ 10μM
Q9EPR9-1-E Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic Eukaryotes 860 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9EPR9_RAT Q9EPR9 Phosphodiesterase 1A, Rat 860 0.39 Binding ≤ 1μM
PDE1B_RAT Q01066 Phosphodiesterase 1B, Rat 860 0.39 Binding ≤ 1μM
PDE1C_RAT Q63421 Phosphodiesterase 1C, Rat 860 0.39 Binding ≤ 1μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 50 0.46 Binding ≤ 1μM
Q9EPR9_RAT Q9EPR9 Phosphodiesterase 1A, Rat 860 0.39 Binding ≤ 10μM
PDE1B_RAT Q01066 Phosphodiesterase 1B, Rat 860 0.39 Binding ≤ 10μM
PDE1C_RAT Q63421 Phosphodiesterase 1C, Rat 860 0.39 Binding ≤ 10μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 50 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% )

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