UCSF

ZINC27724571

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 39 Yes

Popular Name: 1-[3-(1-isopropyl-4-piperidyl)propyl]-2-(phenoxymethyl)-4-[3-(1-piperidyl)propoxy]benzimidazole 1-[3-(1-isopropyl-4-piperidyl)pr…

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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) 6.67 18.97 -84.3 2 6 2 45 534.789 13 ↓
Lo Low (pH 4.5-6) 6.67 19.38 -139.48 3 6 3 46 535.797 13 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPY1R-1-E Neuropeptide Y Receptor Type 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NPY1R_HUMAN P25929 Neuropeptide Y Receptor Type 1, Human 1.61 0.32 Binding ≤ 1μM
NPY1R_HUMAN P25929 Neuropeptide Y Receptor Type 1, Human 1.61 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Peptide ligand-binding receptors

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