UCSF

ZINC00016616

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 11 Yes

Popular Name: 4-(4-methylpyrrolidin-3-yl)-1H-imidazole 4-(4-methylpyrrolidin-3-yl)-1H-i…

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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) 0.53 3.34 -44.71 3 3 1 45 152.221 1 ↓
Mid Mid (pH 6-8) 0.53 3.79 -94.01 4 3 2 47 153.229 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH3-1-E Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 2 1.11 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH3_CAVPO Q9JI35 Histamine H3 Receptor, Guinea Pig 2.51188643 1.09 Binding ≤ 1μM
HRH3_HUMAN Q9Y5N1 Histamine H3 Receptor, Human 2.3 1.10 Binding ≤ 1μM
HRH3_HUMAN Q9Y5N1 Histamine H3 Receptor, Human 2.3 1.10 Binding ≤ 10μM
HRH3_CAVPO Q9JI35 Histamine H3 Receptor, Guinea Pig 2.51188643 1.09 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Histamine receptors

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