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Ligand

NameCHEMBL1922025
Molecular formulaC28H35FN6O4
IUPAC nametert-butyl 4-[6-(3-fluoro-4-methoxyanilino)-2-(4-methoxyanilino)pyrimidin-4-yl]-1,4-diazepane-1-carboxylate
Molecular weight538.624
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50358673
SCHEMBL10144326
Inchi KeyDGAHYYLIRNCMBX-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H35FN6O4/c1-28(2,3)39-27(36)35-14-6-13-34(15-16-35)25-18-24(30-20-9-12-23(38-5)22(29)17-20)32-26(33-25)31-19-7-10-21(37-4)11-8-19/h7-12,17-18H,6,13-16H2,1-5H3,(H2,30,31,32,33)
PubChem CID57401228
ChEMBLCHEMBL1922025
IUPHARN/A
BindingDB50358673
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
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GLASS IDNameUniProtGeneSpeciesLength
59076Galanin receptor type 1P47211GALR1Homo sapiens (Human)349
59075Galanin receptor type 2O43603GALR2Homo sapiens (Human)387

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