UCSF

ZINC04170129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 25 No

Popular Name: Pimobendan Pimobendan

Find On: PubMed — Wikipedia — Google

CAS Number: 74150-27-9

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) 3.44 6.02 -19.35 2 6 0 79 334.379 3 ↓

Vendor Notes

Note Type Comments Provided By
Indications canine vasodilator, inotropic KeyOrganics Bioactives
Patent Database Links EP1579862; EP1908469; EP1920785; EP1941872; US2007238762; US2008213283 ChEBI
Target PDE Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE3A-1-E Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic Eukaryotes 410 0.36 Binding ≤ 10μM
PDE3B-1-E Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic Eukaryotes 410 0.36 Binding ≤ 10μM
Z102306-1-O Aorta (cluster #1 Of 6), Other Other 4670 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE3A_HUMAN Q14432 Phosphodiesterase 3A, Human 410 0.36 Binding ≤ 1μM
PDE3B_HUMAN Q13370 Phosphodiesterase 3B, Human 410 0.36 Binding ≤ 1μM
PDE3A_HUMAN Q14432 Phosphodiesterase 3A, Human 410 0.36 Binding ≤ 10μM
PDE3B_HUMAN Q13370 Phosphodiesterase 3B, Human 410 0.36 Binding ≤ 10μM
Z102306 Z102306 Aorta 4670 0.30 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects
G alpha (s) signalling events
PDE3B signalling

Rings

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