Details of the Drug

General Information of Drug (ID: DMOCKMZ)

Drug Name
CVT-12012
Synonyms
CVT-12012; UNII-OH3J29Q653; 1018675-35-8; CHEMBL573829; OH3J29Q653; SCHEMBL906403; EX-A2767; BDBM50298898; HY-11034; 2-Hydroxy-N-(2-(3-methyl-2-oxo-7-(((3-(trifluoromethyl)phenyl)methyl)amino)-1,2-dihydroquinoxalin-1-yl)ethyl)acetamide; Acetamide, 2-hydroxy-N-(2-(3-methyl-2-oxo-7-(((3-(trifluoromethyl)phenyl)methyl)amino)-1(2H)-quinoxalinyl)ethyl)-; CS-0003005; 2-hydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluoromethyl)benzylamino)quinoxalin-1(2H)-yl)ethyl)acetamide
Indication
Disease Entry ICD 11 Status REF
Diabetic complication 5A2Y Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 434.4
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C21H21F3N4O3
IUPAC Name
2-hydroxy-N-[2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
Canonical SMILES
CC1=NC2=C(C=C(C=C2)NCC3=CC(=CC=C3)C(F)(F)F)N(C1=O)CCNC(=O)CO
InChI
InChI=1S/C21H21F3N4O3/c1-13-20(31)28(8-7-25-19(30)12-29)18-10-16(5-6-17(18)27-13)26-11-14-3-2-4-15(9-14)21(22,23)24/h2-6,9-10,26,29H,7-8,11-12H2,1H3,(H,25,30)
InChIKey
HRAQDVZJYIAWOV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25195516
ChEBI ID
CHEMBL573829
CAS Number
1018675-35-8
TTD ID
D0O7DP
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acyl-CoA desaturase (SCD) TT6RIOV ACOD_HUMAN Inhibitor [1]
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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
Acyl-CoA desaturase (SCD) DTT SCD 4.73E-01 0.2 0.54
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References

1 Potent, orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett. 2009 Aug 1;19(15):4070-4.