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Ligand

NameSCHEMBL255943
Molecular formulaC24H22ClF6N5O5
IUPAC name[3-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]-2-[3-(trifluoromethyl)phenyl]propyl] carbamate
Molecular weight609.91
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogP3.6
SynonymsCHEMBL3946734
BDBM190305
US9180120, 9
Inchi KeyCEZYTGSBHUQSDR-PKHIMPSTSA-N
Inchi IDInChI=1S/C24H22ClF6N5O5/c25-17-6-4-13(5-7-17)20-34-36(22(40)35(20)10-18(37)24(29,30)31)11-19(38)33-9-15(12-41-21(32)39)14-2-1-3-16(8-14)23(26,27)28/h1-8,15,18,37H,9-12H2,(H2,32,39)(H,33,38)/t15?,18-/m0/s1
PubChem CID56848488
ChEMBLCHEMBL3946734
IUPHARN/A
BindingDB190305
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.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
537026Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
537025Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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