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Ligand

NameCHEMBL200759
Molecular formulaC30H33ClFN5O3
IUPAC name4-[2-[(3-chlorobenzoyl)amino]-4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide
Molecular weight566.074
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.7
SynonymsBDBM50175166
SCHEMBL4588068
4-(4-((4-fluorophenethyl)carbamoyl)-2-(3-chlorobenzamido)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide
Inchi KeyACSLPPUKFQXILW-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H33ClFN5O3/c1-2-33-30(40)37-16-4-15-36(17-18-37)27-12-9-23(28(38)34-14-13-21-7-10-25(32)11-8-21)20-26(27)35-29(39)22-5-3-6-24(31)19-22/h3,5-12,19-20H,2,4,13-18H2,1H3,(H,33,40)(H,34,38)(H,35,39)
PubChem CID15604934
ChEMBLCHEMBL200759
IUPHARN/A
BindingDB50175166
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1880C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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