Details of the Drug

General Information of Drug (ID: DMBLUSA)

Drug Name
MF-152
Synonyms
916888-66-9; 2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxamide; CHEMBL576820; MF-152; SCHEMBL3467167; KS-00000RND; DTXSID60474965; MolPort-035-675-701; ZINC45288748; BDBM50301057; AKOS022171752; 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide; DS-5323; ACN-025269; BC261397; AK136241; SC-94064; KB-222046; AJ-110396
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 384.4
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C16H15F3N4O2S
IUPAC Name
2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide
Canonical SMILES
C1CN(CCN1C2=NC=C(S2)C(=O)N)C(=O)C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C16H15F3N4O2S/c17-16(18,19)11-4-2-1-3-10(11)14(25)22-5-7-23(8-6-22)15-21-9-12(26-15)13(20)24/h1-4,9H,5-8H2,(H2,20,24)
InChIKey
XCYAUDKMHBMJSP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11973722
CAS Number
916888-66-9
TTD ID
D0O3TT

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 SAR and optimization of thiazole analogs as potent stearoyl-CoA desaturase inhibitors. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1593-7.