Details of the Drug

General Information of Drug (ID: DMD94MP)

Drug Name
Adamantyl derivative 1
Synonyms PMID27215781-Compound-10
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 296.4
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C19H24N2O
IUPAC Name
N-(1-adamantyl)-2,3-dihydroindole-1-carboxamide
Canonical SMILES
C1CN(C2=CC=CC=C21)C(=O)NC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C19H24N2O/c22-18(21-6-5-16-3-1-2-4-17(16)21)20-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,20,22)
InChIKey
CQDFSOMWSQOSOR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
90022221
TTD ID
D0T9OL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cannabinoid receptor 2 (CB2) TTMSFAW CNR2_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cannabinoid receptor 2 (CB2) DTT CNR2 3.82E-02 -0.43 -1.18
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Cannabinoid receptor 2 (CB2) agonists and antagonists: a patent update.Expert Opin Ther Pat. 2016 Jul;26(7):843-56.