Details of the Drug

General Information of Drug (ID: DMC3NSK)

Drug Name
MUT-056399
Synonyms Fab-001; MUT-1; MUT-2; MUT-3; MUT-37307; MUT-4; FabI inhibitors (antibacterial), Mutabilis; FabI inhibitors (bacterial infection), FAB Pharma
Indication
Disease Entry ICD 11 Status REF
Methicillin-resistant staphylococci infection 1A00-1A09 Preclinical [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 293.26
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H13F2NO3
IUPAC Name
4-(4-ethyl-5-fluoro-2-hydroxyphenoxy)-3-fluorobenzamide
Canonical SMILES
CCC1=CC(=C(C=C1F)OC2=C(C=C(C=C2)C(=O)N)F)O
InChI
InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)
InChIKey
QUHARGDBJJUOEB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44208849
ChEBI ID
CHEMBL2178284
CAS Number
1269055-85-7
TTD ID
D00KJO
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial NADH-dependent enoyl-ACP reductase (Bact fabI) TTFKXOM FABI_ECOLI Modulator [2]
Staphylococcus Enoyl ACP reductase (Stap-coc fabI) TTZBRVL FABI_STAA8 Modulator [2]
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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 800021501)
2 The MUT056399 inhibitor of FabI is a new antistaphylococcal compound. Antimicrob Agents Chemother. 2011 Oct;55(10):4692-7.