Details of the Drug

General Information of Drug (ID: DMDC4BA)

Drug Name

DV-7751A

Synonyms

10-[8(S)-Amino-6-azaspiro[3.4]octan-6-yl]-9-fluoro-3(S)-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid hemihydrate

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

387.4

Logarithm of the Partition Coefficient (xlogp)

-0.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C20H22FN3O4
IUPAC Name: (2S)-6-[(8S)-8-amino-6-azaspiro[3.4]octan-6-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Canonical SMILES: C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4C[C@H](C5(C4)CCC5)N)F)C(=O)O
InChI: InChI=1S/C20H22FN3O4/c1-10-8-28-18-15-11(17(25)12(19(26)27)6-24(10)15)5-13(21)16(18)23-7-14(22)20(9-23)3-2-4-20/h5-6,10,14H,2-4,7-9,22H2,1H3,(H,26,27)/t10-,14+/m0/s1
InChIKey: UGGPRXAHUOKTKV-IINYFYTJSA-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 800002052)
2	Antimicrobial activity of DV-7751a, a new fluoroquinolone.