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Ligand

NameCHEMBL3946683
Molecular formulaC27H29F6N3O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-4-methyl-5-oxo-3-(pyrrolidin-1-ylmethyl)pyrrolidine-3-carboxamide
Molecular weight541.538
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.2
SynonymsSCHEMBL15251178
Inchi KeyHAVOUGOKPOSQTR-IQGLISFBSA-N
Inchi IDInChI=1S/C27H29F6N3O2/c1-16-7-6-8-17(2)22(16)36-15-25(18(3)23(36)37,14-35-9-4-5-10-35)24(38)34-21-12-19(26(28,29)30)11-20(13-21)27(31,32)33/h6-8,11-13,18H,4-5,9-10,14-15H2,1-3H3,(H,34,38)/t18-,25-/m1/s1
PubChem CID89799817
ChEMBLCHEMBL3946683
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
538674Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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