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Ligand

NameCHEMBL360671
Molecular formulaC22H23BrF3N5O3S
IUPAC name2-N-[1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-4-N,4-N-dimethylquinazoline-2,4-diamine
Molecular weight574.417
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP5.6
SynonymsN*2*-[1-(4-Bromo-2-trifluoromethoxy-benzenesulfonyl)-piperidin-4-yl]-N*4*,N*4*-dimethyl-quinazoline-2,4-diamine
N2-[1-(4-bromo-2-trifluoromethoxy-benzenesulfonyl)-piperidin-4-yl]-N4,N4-dimethyl-quinazoline-2,4-diamine
AUHFSEIMAYONHH-UHFFFAOYSA-N
SCHEMBL3940948
BDBM50166556
Inchi KeyAUHFSEIMAYONHH-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23BrF3N5O3S/c1-30(2)20-16-5-3-4-6-17(16)28-21(29-20)27-15-9-11-31(12-10-15)35(32,33)19-8-7-14(23)13-18(19)34-22(24,25)26/h3-8,13,15H,9-12H2,1-2H3,(H,27,28,29)
PubChem CID11342160
ChEMBLCHEMBL360671
IUPHARN/A
BindingDB50166556
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14626Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
14625Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
14627Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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