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Ligand

NameCHEMBL342396
Molecular formulaC31H31ClF3N5O5
IUPAC name7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-(2-piperidin-2-ylethoxy)-N-pyrimidin-2-yl-1H-quinoline-6-carboxamide;2,2,2-trifluoroacetic acid
Molecular weight646.064
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyBMXZJFBFLGXCCY-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H30ClN5O3.C2HF3O2/c1-17-12-18(2)14-19(13-17)25-26(38-11-7-20-6-3-4-8-31-20)22-15-21(23(30)16-24(22)34-28(25)37)27(36)35-29-32-9-5-10-33-29;3-2(4,5)1(6)7/h5,9-10,12-16,20,31H,3-4,6-8,11H2,1-2H3,(H,34,37)(H,32,33,35,36);(H,6,7)
PubChem CID49796677
ChEMBLCHEMBL342396
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
27866Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327
27867Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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