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Ligand

NameCHEMBL425179
Molecular formulaC30H31Cl2N3O2S
IUPAC nameN-[(2R)-2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-3-isothiocyanato-N-methylbenzamide
Molecular weight568.557
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP7.3
SynonymsN/A
Inchi KeyHEDACDFYHLDDKF-DEOSSOPVSA-N
Inchi IDInChI=1S/C30H31Cl2N3O2S/c1-34(29(36)23-6-5-9-26(18-23)33-21-38)20-24(22-10-11-27(31)28(32)19-22)12-15-35-16-13-30(37,14-17-35)25-7-3-2-4-8-25/h2-11,18-19,24,37H,12-17,20H2,1H3/t24-/m0/s1
PubChem CID44394237
ChEMBLCHEMBL425179
IUPHARN/A
BindingDBN/A
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
112606Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402

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