UCSF

ZINC03809801

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 27 No

Popular Name: Omapatrilat Omapatrilat

Find On: PubMed — Wikipedia — Google

CAS Number: 167305-00-2

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) 0.18 -3.2 -61.08 1 6 -1 89 407.537 5 ↓
Hi High (pH 8-9.5) 0.18 -4.16 -118.31 1 6 -2 89 406.529 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1051419A1; WO1999035145A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACE-1-E Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.43 Binding ≤ 10μM
NEP-2-E Neprilysin (cluster #2 Of 2), Eukaryotic Eukaryotes 9 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 5 0.43 Binding ≤ 1μM
NEP_HUMAN P08473 Neprilysin, Human 9 0.42 Binding ≤ 1μM
NEP_RAT P07861 Neprilysin, Rat 8 0.42 Binding ≤ 1μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 5 0.43 Binding ≤ 10μM
NEP_HUMAN P08473 Neprilysin, Human 9 0.42 Binding ≤ 10μM
NEP_RAT P07861 Neprilysin, Rat 8 0.42 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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