Details of the Drug

General Information of Drug (ID: DM72MQP)

Drug Name

MF-5137

Indication

Disease Entry	ICD 11	Status	REF
Staphylococcus infection	1B5Y	Terminated	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

389.4

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C23H23N3O3
IUPAC Name: 6-amino-1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid
Canonical SMILES: CC1=C2C(=CC(=C1N3CCC4=CC=CC=C4C3)N)C(=O)C(=CN2C5CC5)C(=O)O
InChI: InChI=1S/C23H23N3O3/c1-13-20-17(22(27)18(23(28)29)12-26(20)16-6-7-16)10-19(24)21(13)25-9-8-14-4-2-3-5-15(14)11-25/h2-5,10,12,16H,6-9,11,24H2,1H3,(H,28,29)
InChIKey: LLVLMYRWABCVEU-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial DNA gyrase (Bact gyrase)	TTN6J5F	GYRA_STAAU ; GYRB_STAAU	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 800004011)
2	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.