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Ligand

NameCHEMBL557736
Molecular formulaC26H24BrClN4
IUPAC name4-N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-N-phenylpyrimidine-4,6-diamine
Molecular weight507.86
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP7.9
SynonymsBDBM50298052
N4-((2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl)-N6-phenylpyrimidine-4,6-diamine
Inchi KeyAGTMKLSODBTDJZ-MHECFPHRSA-N
Inchi IDInChI=1S/C26H24BrClN4/c1-18(31-25-16-26(30-17-29-25)32-23-8-3-2-4-9-23)24(20-6-5-7-21(27)15-20)14-19-10-12-22(28)13-11-19/h2-13,15-18,24H,14H2,1H3,(H2,29,30,31,32)/t18-,24+/m0/s1
PubChem CID45273768
ChEMBLCHEMBL557736
IUPHARN/A
BindingDB50298052
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5191Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473

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