UCSF

ZINC52716466

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2010 22 Yes

Popular Name: 2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole 2-[(4-phenyl-3,6-dihydro-2H-pyri…

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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) 3.33 8.4 -8.86 1 3 0 32 289.382 3 ↓
Mid Mid (pH 6-8) 3.33 8.83 -30.54 2 3 1 33 290.39 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 228 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 228 0.42 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 228 0.42 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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

No pre-computed analogs available. Try a structural similarity search.