Details of the Drug

General Information of Drug (ID: DM65MUI)

Drug Name
AZD1175
Indication
Disease Entry ICD 11 Status REF
Diabetic complication 5A2Y Discontinued in Phase 1 [1]
Hypertension BA00-BA04 Discontinued in Phase 1 [1]
Obesity 5B81 Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 605.5
Logarithm of the Partition Coefficient (xlogp) 6.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C25H25Cl2F3N4O4S
IUPAC Name
[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate
Canonical SMILES
CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OS(=O)(=O)CCC(F)(F)F
InChI
InChI=1S/C25H25Cl2F3N4O4S/c1-16-22(24(35)32-33-12-3-2-4-13-33)31-34(21-10-7-18(26)15-20(21)27)23(16)17-5-8-19(9-6-17)38-39(36,37)14-11-25(28,29)30/h5-10,15H,2-4,11-14H2,1H3,(H,32,35)
InChIKey
AUAVZPQYSXVTLQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11250433
CAS Number
863639-43-4
TTD ID
D0N5SS
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cannabinoid receptor 1 (CB1) TT6OEDT CNR1_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Diabetic complication
ICD Disease Classification 5A2Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cannabinoid receptor 1 (CB1) DTT CNR1 5.59E-02 -0.22 -0.45
Cannabinoid receptor 1 (CB1) DTT CNR1 7.68E-01 -0.06 -0.46
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800024090)
2 Clinical pipeline report, company report or official report of AstraZeneca (2009).