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Ligand

NameCHEMBL1774004
Molecular formulaC25H34ClN3O4S
IUPAC name(2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)propanamide
Molecular weight508.074
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50418381
Inchi KeyBHFAKTJSTIEQNS-QFIPXVFZSA-N
Inchi IDInChI=1S/C25H34ClN3O4S/c1-16-14-23(33-5)17(2)18(3)24(16)34(31,32)28-22(15-19-6-8-20(26)9-7-19)25(30)27-21-10-12-29(4)13-11-21/h6-9,14,21-22,28H,10-13,15H2,1-5H3,(H,27,30)/t22-/m0/s1
PubChem CID54581267
ChEMBLCHEMBL1774004
IUPHARN/A
BindingDB50418381
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
23699Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418

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