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Ligand

NameCHEMBL3967440
Molecular formulaC28H29F6N3O2
IUPAC nameN-[3,5-bis(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-3-oxo-5-pyrrolidin-1-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-6a-carboxamide
Molecular weight553.549
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.3
SynonymsSCHEMBL12728466
Inchi KeyDMXRVNIKHPDWEZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29F6N3O2/c1-16-6-5-7-17(2)23(16)37-15-26(14-21(13-22(26)24(37)38)36-8-3-4-9-36)25(39)35-20-11-18(27(29,30)31)10-19(12-20)28(32,33)34/h5-7,10-12,21-22H,3-4,8-9,13-15H2,1-2H3,(H,35,39)
PubChem CID88954722
ChEMBLCHEMBL3967440
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
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GLASS IDNameUniProtGeneSpeciesLength
537523Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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