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Ligand

NameCHEMBL3903125
Molecular formulaC27H32F3N7O2
IUPAC name2-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
Molecular weight543.595
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP3.3
SynonymsSCHEMBL13534444
2-[(R)-4-(6-Benzyl-4,5-dimethyl-pyridazin-3-yl)-2-methyl-piperazin-1-yl]-4-trifluoromethyl-pyrimidine-5-carboxylic acid (2-hydroxy-ethyl)-methyl-amide
BRTCBDHYZVDJEV-QGZVFWFLSA-N
Inchi KeyBRTCBDHYZVDJEV-QGZVFWFLSA-N
Inchi IDInChI=1S/C27H32F3N7O2/c1-17-16-36(24-19(3)18(2)22(33-34-24)14-20-8-6-5-7-9-20)10-11-37(17)26-31-15-21(23(32-26)27(28,29)30)25(39)35(4)12-13-38/h5-9,15,17,38H,10-14,16H2,1-4H3/t17-/m1/s1
PubChem CID70929068
ChEMBLCHEMBL3903125
IUPHARN/A
BindingDBN/A
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.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536799Smoothened homologQ99835SMOHomo sapiens (Human)787
536800Smoothened homologP56726SmoMus musculus (Mouse)793

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