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Ligand

NameCHEMBL558725
Molecular formulaC26H31BrClN3O
IUPAC nameN-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-hexoxypyrimidin-4-amine
Molecular weight516.908
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP8.6
SynonymsBDBM50298070
N-((2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl)-6-(hexyloxy)pyrimidin-4-amine
Inchi KeyAFTIRHJLPJTCNM-YADARESESA-N
Inchi IDInChI=1S/C26H31BrClN3O/c1-3-4-5-6-14-32-26-17-25(29-18-30-26)31-19(2)24(21-8-7-9-22(27)16-21)15-20-10-12-23(28)13-11-20/h7-13,16-19,24H,3-6,14-15H2,1-2H3,(H,29,30,31)/t19-,24+/m0/s1
PubChem CID45273781
ChEMBLCHEMBL558725
IUPHARN/A
BindingDB50298070
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
4463Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473

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