UCSF

ZINC08855176

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 23 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 139756-21-1 , [139756-21-1]

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) 3.33 6.99 -10.77 1 6 0 73 312.373 5 ↓
Mid Mid (pH 6-8) 3.79 5.44 -53.1 0 6 -1 76 311.365 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

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 790 0.37 Binding ≤ 10μM
PDE1B-1-E Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic Eukaryotes 790 0.37 Binding ≤ 10μM
PDE1C-1-E Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic Eukaryotes 790 0.37 Binding ≤ 10μM
PDE5A-1-E Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic Eukaryotes 40 0.45 Binding ≤ 10μM
Q9EPR9-1-E Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic Eukaryotes 790 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE1A_HUMAN P54750 Phosphodiesterase 1A, Human 790 0.37 Binding ≤ 1μM
Q9EPR9_RAT Q9EPR9 Phosphodiesterase 1A, Rat 790 0.37 Binding ≤ 1μM
PDE1B_RAT Q01066 Phosphodiesterase 1B, Rat 790 0.37 Binding ≤ 1μM
PDE1B_HUMAN Q01064 Phosphodiesterase 1B, Human 790 0.37 Binding ≤ 1μM
PDE1C_RAT Q63421 Phosphodiesterase 1C, Rat 790 0.37 Binding ≤ 1μM
PDE1C_HUMAN Q14123 Phosphodiesterase 1C, Human 790 0.37 Binding ≤ 1μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 26.915348 0.46 Binding ≤ 1μM
Q9EPR9_RAT Q9EPR9 Phosphodiesterase 1A, Rat 790 0.37 Binding ≤ 10μM
PDE1A_HUMAN P54750 Phosphodiesterase 1A, Human 790 0.37 Binding ≤ 10μM
PDE1B_RAT Q01066 Phosphodiesterase 1B, Rat 790 0.37 Binding ≤ 10μM
PDE1B_HUMAN Q01064 Phosphodiesterase 1B, Human 790 0.37 Binding ≤ 10μM
PDE1C_RAT Q63421 Phosphodiesterase 1C, Rat 790 0.37 Binding ≤ 10μM
PDE1C_HUMAN Q14123 Phosphodiesterase 1C, Human 790 0.37 Binding ≤ 10μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 26.915348 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% )