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Ligand

NameCHEMBL3959511
Molecular formulaC30H36F3N5O2
IUPAC namebutyl 6-[4-[4,5-dimethyl-6-(4-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylate
Molecular weight555.646
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP6.7
SynonymsSCHEMBL13490981
Inchi KeyBRDQCZVOORYBQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H36F3N5O2/c1-6-7-16-40-29(39)24-18-34-26(17-25(24)30(31,32)33)37-12-14-38(15-13-37)28-21(5)20(4)27(35-36-28)23-10-8-22(9-11-23)19(2)3/h8-11,17-19H,6-7,12-16H2,1-5H3
PubChem CID59191573
ChEMBLCHEMBL3959511
IUPHARN/A
BindingDBN/A
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536770Smoothened homologP56726SmoMus musculus (Mouse)793
536771Smoothened homologQ99835SMOHomo sapiens (Human)787

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