Details of the Drug

General Information of Drug (ID: DMQD1GN)

Drug Name

JNJ-32729463

Synonyms

Acorafloxacin HCl; Avarofloxacin hydrochloride; Acorafloxacin hydrochloride; UNII-1NWW5SKQ0N; JNJ-32729463-AAC; 1NWW5SKQ0N; Acorafloxacin hydrochloride [USAN]; 1001162-01-1 (HCl); Acorafloxacin hydrochloride (USAN); Avarofloxacin HCl; 1001162-01-1; (E)-7-(3-(2-amino-1-fluoroethylidene)piperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride; JNJ-Q2 hydrochloride; SCHEMBL2190495; CHEMBL2364603; DTXSID70142966; JNJ-32729463AAC; Jnj-32729463; 7-((3E)-3-(2-Amino-1-fluoroethylidene)-1-piperidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid hydrochloride; D10544; Q27252661

Indication

Disease Entry	ICD 11	Status	REF
Community-acquired pneumonia	CA40.Z	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

455.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Chemical Identifiers

Formula: C21H24ClF2N3O4
IUPAC Name: 7-[(3E)-3-(2-amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
Canonical SMILES: COC1=C2C(=CC(=C1N3CCC/C(=C(/CN)\\F)/C3)F)C(=O)C(=CN2C4CC4)C(=O)O.Cl
InChI: InChI=1S/C21H23F2N3O4.ClH/c1-30-20-17-13(19(27)14(21(28)29)10-26(17)12-4-5-12)7-15(22)18(20)25-6-2-3-11(9-25)16(23)8-24;/h7,10,12H,2-6,8-9,24H2,1H3,(H,28,29);1H/b16-11+;
InChIKey: RDXCNSOGHLLWDV-YFMOEUEHSA-N

Cross-matching ID

PubChem CID: 67311433
CAS Number: 1001162-01-1
TTD ID: D39VXL

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	Inhibitor	[2]
Bacterial DNA topoisomerase 4A (Bact parC)	TTFK8YB	PARC_ECOLI	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT01198626) Efficacy and Safety Study of JNJ-32729463 Compared With Moxifloxacin for the Treatment of Subjects Requiring Hospitalization for Community-Acquired Bacterial Pneumonia. U.S. National Institutes of Health.
2	Antistaphylococcal activities of the new fluoroquinolone JNJ-Q2. Antimicrob Agents Chemother. 2011 Dec;55(12):5512-21.