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Ligand

NameSCHEMBL256565
Molecular formulaC25H29ClF3N5O5S
IUPAC nametert-butyl N-[2-[[2-[3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-5-oxo-1,2,4-triazol-1-yl]acetyl]amino]-1-[2-(trifluoromethyl)phenyl]ethyl]carbamate
Molecular weight604.042
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.5
Synonymstert-Butyl {2-({[3-(5-chloro-2-thienyl)-4-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}amino)-1-[2-(trifluoromethyl)phenyl]ethyl}carbamate
AAPSBWWMCXOCQQ-UHFFFAOYSA-N
CHEMBL3965109
US9180120, 66
BDBM190362
Inchi KeyAAPSBWWMCXOCQQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29ClF3N5O5S/c1-24(2,3)39-22(36)31-17(15-7-5-6-8-16(15)25(27,28)29)13-30-20(35)14-34-23(37)33(11-12-38-4)21(32-34)18-9-10-19(26)40-18/h5-10,17H,11-14H2,1-4H3,(H,30,35)(H,31,36)
PubChem CID56848685
ChEMBLCHEMBL3965109
IUPHARN/A
BindingDB190362
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
535911Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
535910Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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