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Ligand

NameCHEMBL16108
Molecular formulaC14H14F3N3O2
IUPAC name3-(1H-imidazol-5-yl)propyl N-[3-(trifluoromethyl)phenyl]carbamate
Molecular weight313.28
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50051183
N-[3-(Trifluoromethyl)phenyl]carbamic acid 3-(1H-imidazol-4-yl)propyl ester
(3-Trifluoromethyl-phenyl)-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
SCHEMBL7971497
Inchi KeyGVQMFQFMGQOLDL-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H14F3N3O2/c15-14(16,17)10-3-1-4-11(7-10)20-13(21)22-6-2-5-12-8-18-9-19-12/h1,3-4,7-9H,2,5-6H2,(H,18,19)(H,20,21)
PubChem CID10805119
ChEMBLCHEMBL16108
IUPHARN/A
BindingDB50051183
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
106492Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
106493Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
106490Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445
106491Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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