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Ligand

NameCHEMBL42334
Molecular formulaC33H38Cl2N4O3S
IUPAC name2-[(2R,5R)-2-(2,4-dichlorophenyl)-4-oxo-3-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-1,3-thiazolidin-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
Molecular weight641.652
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM50142370
2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[((R)-1-naphthalen-1-yl-ethylcarbamoyl)-methyl]-4-oxo-thiazolidin-3-yl}-N-(3-piperidin-1-yl-propyl)-acetamide
Inchi KeyCOUJFDKQCHWQLT-PCLMVKJGSA-N
Inchi IDInChI=1S/C33H38Cl2N4O3S/c1-22(25-12-7-10-23-9-3-4-11-26(23)25)37-30(40)20-29-32(42)39(33(43-29)27-14-13-24(34)19-28(27)35)21-31(41)36-15-8-18-38-16-5-2-6-17-38/h3-4,7,9-14,19,22,29,33H,2,5-6,8,15-18,20-21H2,1H3,(H,36,41)(H,37,40)/t22-,29-,33-/m1/s1
PubChem CID44288959
ChEMBLCHEMBL42334
IUPHARN/A
BindingDB50142370
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
47014C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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