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Ligand

NameCHEMBL2112211
Molecular formulaC30H27F6N3O3
IUPAC name3-[[3,5-bis(trifluoromethyl)benzoyl]-methylamino]-4-(4-methylphenyl)-N-[(3R)-2-oxoazepan-3-yl]benzamide
Molecular weight591.554
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP6.2
SynonymsBDBM50403919
Inchi KeyAGFUYWBBNWLCOK-XMMPIXPASA-N
Inchi IDInChI=1S/C30H27F6N3O3/c1-17-6-8-18(9-7-17)23-11-10-19(26(40)38-24-5-3-4-12-37-27(24)41)15-25(23)39(2)28(42)20-13-21(29(31,32)33)16-22(14-20)30(34,35)36/h6-11,13-16,24H,3-5,12H2,1-2H3,(H,37,41)(H,38,40)/t24-/m1/s1
PubChem CID71452678
ChEMBLCHEMBL2112211
IUPHARN/A
BindingDB50403919
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
4837Substance-K receptorP21452TACR2Homo sapiens (Human)398
4838Substance-P receptorP25103TACR1Homo sapiens (Human)407

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