Details of the Drug

General Information of Drug (ID: DMVL5RC)

Drug Name

FK-041

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Discontinued in Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

481.5

Logarithm of the Partition Coefficient (xlogp)

-0.4

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

12

Chemical Identifiers

Formula: C16H15N7O5S3
IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-(1H-pyrazol-4-ylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Canonical SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/O)/C3=CSC(=N3)N)C(=O)O)SCC4=CNN=C4
InChI: InChI=1S/C16H15N7O5S3/c17-16-20-7(4-31-16)9(22-28)12(24)21-10-13(25)23-11(15(26)27)8(5-30-14(10)23)29-3-6-1-18-19-2-6/h1-2,4,10,14,28H,3,5H2,(H2,17,20)(H,18,19)(H,21,24)(H,26,27)/b22-9+/t10-,14-/m1/s1
InChIKey: RNWMKMFWVBYAMX-KXDGEKGBSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Penicillin binding protein (Bact PBP)	TTJP4SM	NOUNIPROTAC	Inhibitor	[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 800007635)
2	In vitro antibacterial activity of FK041, a new orally active cephalosporin. J Antibiot (Tokyo). 1999 Jul;52(7):649-59.