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Ligand

NameCHEMBL237048
Molecular formulaC36H41N5O3S
IUPAC nameN-[2-[[(2R)-1-[3-(4-methylpiperazin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]-1-benzothiophene-2-carboxamide
Molecular weight623.816
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.3
SynonymsBDBM50002961
Inchi KeyDDUDXQJJRXDLAT-SSEXGKCCSA-N
Inchi IDInChI=1S/C36H41N5O3S/c1-40-18-20-41(21-19-40)17-9-16-37-33(42)30(22-26-10-3-2-4-11-26)38-35(44)36(24-28-13-5-6-14-29(28)25-36)39-34(43)32-23-27-12-7-8-15-31(27)45-32/h2-8,10-15,23,30H,9,16-22,24-25H2,1H3,(H,37,42)(H,38,44)(H,39,43)/t30-/m1/s1
PubChem CID44434205
ChEMBLCHEMBL237048
IUPHARN/A
BindingDB50002961
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
57460Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
57461Substance-K receptorP21452TACR2Homo sapiens (Human)398

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