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Ligand

NameCHEMBL1204126
Molecular formulaC31H46BrN3O6S2
IUPAC nameN-(cyclohexylmethyl)-1-[2-[1-(2,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]ethylsulfonyl]piperidin-4-amine;hydrobromide
Molecular weight700.748
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyJTLJPLTVDHZSRP-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H45N3O6S2.BrH/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24;/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3;1H
PubChem CID52949017
ChEMBLCHEMBL1204126
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
159562Oxytocin receptorP30559OXTRHomo sapiens (Human)389
159563Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
159565Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
159560Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424
159564Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
159561Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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