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Ligand

NameSCHEMBL3213197
Molecular formulaC23H27N7O2
IUPAC namemethyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
Molecular weight433.516
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP2.4
Synonyms(r)-4-(4,5-dimethyl-6-pyridin-2-ylmethyl-pyridazin-3-yl)-2-methyl-3,4,5,6-tetrahydro-2h-[1,2']bipyrazinyl-5'-carboxylic acid methyl ester
FWTCYLIISSHRAD-OAHLLOKOSA-N
CHEMBL3895940
Inchi KeyFWTCYLIISSHRAD-OAHLLOKOSA-N
Inchi IDInChI=1S/C23H27N7O2/c1-15-14-29(9-10-30(15)21-13-25-20(12-26-21)23(31)32-4)22-17(3)16(2)19(27-28-22)11-18-7-5-6-8-24-18/h5-8,12-13,15H,9-11,14H2,1-4H3/t15-/m1/s1
PubChem CID59191517
ChEMBLCHEMBL3895940
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
538218Smoothened homologQ99835SMOHomo sapiens (Human)787
538219Smoothened homologP56726SmoMus musculus (Mouse)793

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