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Ligand

NameCHEMBL284120
Molecular formulaC32H31Cl2N5O5
IUPAC nameN-[1-[2-[[(2S)-1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-5-oxohexanamide
Molecular weight636.53
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.5
SynonymsGW-405212X
5-Oxo-hexanoic acid (1-{[(S)-1-carbamoyl-2-(3,4-dichloro-phenyl)-ethylcarbamoyl]-methyl}-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide
GW405212X
5-Oxo-hexanoic acid (1-{[(S)-1-carbamoyl-2-(3,4-dichloro-phenyl)-ethylcarbamoyl]-methyl}-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[b]azepin-3-yl)-amide
BDBM50100380
Inchi KeyBADTYUHLCFJVTK-ZGAORZAOSA-N
Inchi IDInChI=1S/C32H31Cl2N5O5/c1-19(40)8-7-13-27(41)37-31-32(44)39(26-12-6-5-11-22(26)29(38-31)21-9-3-2-4-10-21)18-28(42)36-25(30(35)43)17-20-14-15-23(33)24(34)16-20/h2-6,9-12,14-16,25,31H,7-8,13,17-18H2,1H3,(H2,35,43)(H,36,42)(H,37,41)/t25-,31?/m0/s1
PubChem CID44459838
ChEMBLCHEMBL284120
IUPHARN/A
BindingDB50100380
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
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GLASS IDNameUniProtGeneSpeciesLength
18759Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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