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Ligand

NameCHEMBL2418357
Molecular formulaC19H26N4O
IUPAC name[(3aS,6aR)-2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone
Molecular weight326.444
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.1
SynonymsBDBM50439536
Inchi KeyBNPTVHTYSPQYAZ-GEEKYZPCSA-N
Inchi IDInChI=1S/C19H26N4O/c1-19(2)15-11-23(12-16(15)19)18(24)22-9-13-7-21(8-14(13)10-22)17-5-3-4-6-20-17/h3-6,13-16H,7-12H2,1-2H3/t13-,14+,15-,16+
PubChem CID72163835
ChEMBLCHEMBL2418357
IUPHARN/A
BindingDB50439536
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
28317Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194

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