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Ligand

NameCHEMBL445357
Molecular formulaC30H33Cl2N3O3S2
IUPAC name(2R)-2-(benzylamino)-3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-one
Molecular weight618.632
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50070983
2-benzylamino-3-(3,4-dichlorobenzylsulfanyl)-1-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-1-yl]-(2R)-propan-1-one
Inchi KeyAIQHFECKTSSXEZ-MHZLTWQESA-N
Inchi IDInChI=1S/C30H33Cl2N3O3S2/c1-40(37,38)35-21-30(24-9-5-6-10-28(24)35)13-15-34(16-14-30)29(36)27(33-18-22-7-3-2-4-8-22)20-39-19-23-11-12-25(31)26(32)17-23/h2-12,17,27,33H,13-16,18-21H2,1H3/t27-/m0/s1
PubChem CID44297293
ChEMBLCHEMBL445357
IUPHARN/A
BindingDB50070983
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6452Substance-P receptorP25103TACR1Homo sapiens (Human)407

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