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Ligand

NameCHEMBL257738
Molecular formulaC23H27Cl2N3O2
IUPAC name(4-cyclopropyl-1,4-diazepan-1-yl)-[4-(3,4-dichlorophenoxy)-3-(methylaminomethyl)phenyl]methanone
Molecular weight448.388
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50371283
SCHEMBL4264505
ANDYBNKRXGVQGP-UHFFFAOYSA-N
(4-Cyclopropyl-[1,4]diazepan-1-yl)-[4-(3,4-dichloro-phenoxy)-3-methylaminomethyl-phenyl]-methanone
Inchi KeyANDYBNKRXGVQGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27Cl2N3O2/c1-26-15-17-13-16(3-8-22(17)30-19-6-7-20(24)21(25)14-19)23(29)28-10-2-9-27(11-12-28)18-4-5-18/h3,6-8,13-14,18,26H,2,4-5,9-12,15H2,1H3
PubChem CID24855884
ChEMBLCHEMBL257738
IUPHARN/A
BindingDB50371283
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
9477Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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