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Ligand

NameCHEMBL415989
Molecular formulaC22H28N6O4
IUPAC name3-(1H-imidazol-5-yl)propyl N-[[3-[[3-(1H-imidazol-5-yl)propoxycarbonylamino]methyl]phenyl]methyl]carbamate
Molecular weight440.504
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.9
SynonymsBDBM50051194
(3-{[3-(1H-Imidazol-4-yl)-propoxycarbonylamino]-methyl}-benzyl)-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
Inchi KeyANTZCCLUSVYIOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N6O4/c29-21(31-8-2-6-19-13-23-15-27-19)25-11-17-4-1-5-18(10-17)12-26-22(30)32-9-3-7-20-14-24-16-28-20/h1,4-5,10,13-16H,2-3,6-9,11-12H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
PubChem CID10646764
ChEMBLCHEMBL415989
IUPHARN/A
BindingDB50051194
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9902Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
9904Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
9903Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445
9905Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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