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Ligand

NameCID 56683603
Molecular formulaC27H24ClN5O3
IUPAC nameN-[2-(2-chlorophenyl)pyridin-3-yl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
Molecular weight501.971
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.2
SynonymsN/A
Inchi KeyBHDJYICBLHHMEY-BSJAROSPSA-N
Inchi IDInChI=1S/C27H24ClN5O3/c28-20-10-5-4-9-18(20)24-21(11-6-12-29-24)30-26(35)31-13-14-32-23(16-31)25(34)33(27(32)36)22-15-19(22)17-7-2-1-3-8-17/h1-12,19,22-23H,13-16H2,(H,30,35)/t19-,22+,23?/m1/s1
PubChem CID56683603
ChEMBLCHEMBL1807226
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23656Smoothened homologQ99835SMOHomo sapiens (Human)787

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