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Ligand

NameCHEMBL425012
Molecular formulaC23H24BrF3N4O3S
IUPAC name4-bromo-N-[[4-[(quinazolin-2-ylamino)methyl]cyclohexyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
Molecular weight573.429
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM50166562
4-Bromo-N-[4-(quinazolin-2-ylaminomethyl)-cyclohexylmethyl]-2-trifluoromethoxy-benzenesulfonamide
Inchi KeyBKDDSROSFZKQTN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24BrF3N4O3S/c24-18-9-10-21(20(11-18)34-23(25,26)27)35(32,33)30-13-16-7-5-15(6-8-16)12-28-22-29-14-17-3-1-2-4-19(17)31-22/h1-4,9-11,14-16,30H,5-8,12-13H2,(H,28,29,31)
PubChem CID44401552
ChEMBLCHEMBL425012
IUPHARN/A
BindingDB50166562
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25678Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
25677Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
25679Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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