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Ligand

NameCHEMBL3692763
Molecular formulaC26H27ClN4O2
IUPAC name1-[5-chloro-4-(3-methylpyridin-2-yl)pyridin-2-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide
Molecular weight462.978
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.6
SynonymsUS9056865, A-58
BDBM162931
SCHEMBL15170034
Inchi KeyAIOBCPALFXAIAP-WIOPSUGQSA-N
Inchi IDInChI=1S/C26H27ClN4O2/c1-16-5-4-10-28-24(16)20-14-23(29-15-21(20)27)31-11-8-17(9-12-31)26(33)30-25-19-7-3-2-6-18(19)13-22(25)32/h2-7,10,14-15,17,22,25,32H,8-9,11-13H2,1H3,(H,30,33)/t22-,25+/m0/s1
PubChem CID89736551
ChEMBLCHEMBL3692763
IUPHARN/A
BindingDB162931
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
463642Smoothened homologQ99835SMOHomo sapiens (Human)787

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