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Ligand

NameCHEMBL518675
Molecular formulaC26H22ClF3N4O4
IUPAC name(2S)-2-[[1-(7-chloroquinolin-4-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carbonyl]amino]-4-methylpentanoic acid
Molecular weight546.931
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP6.6
SynonymsBDBM50248140
(2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2-(trifluoromethoxy)phenyl)-1H-pyrazole-3-carboxamido)-4-methylpentanoic acid
Inchi KeyAWBJCBBPHILPEC-FQEVSTJZSA-N
Inchi IDInChI=1S/C26H22ClF3N4O4/c1-14(2)11-20(25(36)37)32-24(35)19-13-22(17-5-3-4-6-23(17)38-26(28,29)30)34(33-19)21-9-10-31-18-12-15(27)7-8-16(18)21/h3-10,12-14,20H,11H2,1-2H3,(H,32,35)(H,36,37)/t20-/m0/s1
PubChem CID44157044
ChEMBLCHEMBL518675
IUPHARN/A
BindingDB50248140
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15863Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418

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