Details of the Drug

General Information of Drug (ID: DMR9GLW)

Drug Name
PMID27215781-Compound-12
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 389.5
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C16H27N3O4S2
IUPAC Name
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-3-(oxan-4-ylsulfonyl)propanamide
Canonical SMILES
CC(C)(C)C1=NN=C(S1)NC(=O)C(C)(C)CS(=O)(=O)C2CCOCC2
InChI
InChI=1S/C16H27N3O4S2/c1-15(2,3)13-18-19-14(24-13)17-12(20)16(4,5)10-25(21,22)11-6-8-23-9-7-11/h11H,6-10H2,1-5H3,(H,17,19,20)
InChIKey
YNOMXHGERFXVDK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
56639654
TTD ID
D0Q9TO

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 Not Available [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.