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Ligand

NameCHEMBL1092748
Molecular formulaC30H35F6N3O4S
IUPAC nameN-[(3S)-1-[(1S,2R,4R)-2-(benzenesulfonylmethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide
Molecular weight647.677
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP5.7
SynonymsSCHEMBL4413743
BDBM50315990
N-((S)-1-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-(phenylsulfonylmethyl)cyclohexyl)-2-oxopyrrolidin-3-yl)-3,5-bis(trifluoromethyl)benzamide
Inchi KeyABOSMIZKCHEJEN-KIKDMBQDSA-N
Inchi IDInChI=1S/C30H35F6N3O4S/c1-18(2)38(3)23-9-10-26(20(15-23)17-44(42,43)24-7-5-4-6-8-24)39-12-11-25(28(39)41)37-27(40)19-13-21(29(31,32)33)16-22(14-19)30(34,35)36/h4-8,13-14,16,18,20,23,25-26H,9-12,15,17H2,1-3H3,(H,37,40)/t20-,23+,25-,26-/m0/s1
PubChem CID46886538
ChEMBLCHEMBL1092748
IUPHARN/A
BindingDB50315990
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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
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GLASS IDNameUniProtGeneSpeciesLength
1041C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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