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]
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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

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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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction 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 800021501)
2	The MUT056399 inhibitor of FabI is a new antistaphylococcal compound. Antimicrob Agents Chemother. 2011 Oct;55(10):4692-7.