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Ligand

NameCHEMBL3953149
Molecular formulaC25H30N6O2
IUPAC name[6-[(3R)-4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-3-methylpiperazin-1-yl]-4,5-dimethylpyridazin-3-yl]-phenylmethanone
Molecular weight446.555
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.7
SynonymsSCHEMBL13491004
Inchi KeyBHESAMQTYCUTJD-MRXNPFEDSA-N
Inchi IDInChI=1S/C25H30N6O2/c1-16-15-30(11-12-31(16)21-14-26-20(13-27-21)25(4,5)33)24-18(3)17(2)22(28-29-24)23(32)19-9-7-6-8-10-19/h6-10,13-14,16,33H,11-12,15H2,1-5H3/t16-/m1/s1
PubChem CID59191633
ChEMBLCHEMBL3953149
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
536587Smoothened homologQ99835SMOHomo sapiens (Human)787
536588Smoothened homologP56726SmoMus musculus (Mouse)793

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