UCSF

ZINC21981371

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 32 Yes

Popular Name: 5-(2-ethoxy-5-piperazin-1-ylsulfonyl-phenyl)-1-methyl-3-propyl-6H-pyrazolo[5,4-e]pyrimidin-7-one 5-(2-ethoxy-5-piperazin-1-ylsulf…

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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

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 390 0.28 Binding ≤ 10μM
PDE1C-1-E Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic Eukaryotes 390 0.28 Binding ≤ 10μM
PDE5A-1-E Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.36 Binding ≤ 10μM
Q9EPR9-1-E Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic Eukaryotes 390 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9EPR9_RAT Q9EPR9 Phosphodiesterase 1A, Rat 390 0.28 Binding ≤ 1μM
PDE1B_RAT Q01066 Phosphodiesterase 1B, Rat 390 0.28 Binding ≤ 1μM
PDE1C_RAT Q63421 Phosphodiesterase 1C, Rat 390 0.28 Binding ≤ 1μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 5.7 0.36 Binding ≤ 1μM
Q9EPR9_RAT Q9EPR9 Phosphodiesterase 1A, Rat 390 0.28 Binding ≤ 10μM
PDE1B_RAT Q01066 Phosphodiesterase 1B, Rat 390 0.28 Binding ≤ 10μM
PDE1C_RAT Q63421 Phosphodiesterase 1C, Rat 390 0.28 Binding ≤ 10μM
PDE5A_HUMAN O76074 Phosphodiesterase 5A, Human 5.7 0.36 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.