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Ligand

NameSSR126768A
Molecular formulaC33H31Cl2N3O4
IUPAC name4-chloro-3-[(3R)-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-(pyridin-3-ylmethyl)benzamide
Molecular weight604.528
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.0
Synonyms(R)-4-chloro-3-(5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxoindolin-3-yl)-N-ethyl-N-(pyridin-3-ylmethyl)benzamide hydrochloride
D0Q0OR
4-chloro-3-[(3R)-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-(pyridin-3-ylmethyl)benzamide
SSR-126768A
CHEMBL1253499
[ Show all ]
Inchi KeyUENRBNCNIZQNTR-XIFFEERXSA-N
Inchi IDInChI=1S/C33H31Cl2N3O4/c1-5-37(19-21-7-6-14-36-18-21)31(39)22-9-12-28(35)26(15-22)33(2)27-16-24(34)10-13-29(27)38(32(33)40)20-23-8-11-25(41-3)17-30(23)42-4/h6-18H,5,19-20H2,1-4H3/t33-/m0/s1
PubChem CID10461270
ChEMBLN/A
IUPHAR2201
BindingDB50326716
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
334892Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
334894Oxytocin receptorP30559OXTRHomo sapiens (Human)389
334889Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
334895Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
334891Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
334890Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371
334893Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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