This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.

Drug	Interaction
Integrate drug-drug interactions in your software
Acarbose	The therapeutic efficacy of Acarbose can be increased when used in combination with Nemonoxacin.
Aceclofenac	Aceclofenac may increase the neuroexcitatory activities of Nemonoxacin.
Acemetacin	Acemetacin may increase the neuroexcitatory activities of Nemonoxacin.
Acenocoumarol	The therapeutic efficacy of Acenocoumarol can be increased when used in combination with Nemonoxacin.
Acetaminophen	The metabolism of Acetaminophen can be decreased when combined with Nemonoxacin.

Food Interactions

Not Available

Chemical Identifiers

UNII: P94L0PVO94
CAS number: 378746-64-6
InChI Key: AVPQPGFLVZTJOR-RYUDHWBXSA-N
InChI: InChI=1S/C20H25N3O4/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26)/t11-,12-/m0/s1
IUPAC Name: 7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SMILES: COC1=C2N(C=C(C(O)=O)C(=O)C2=CC=C1N1C[C@@H](C)C[C@H](N)C1)C1CC1

References

General References

Not Available

External Links

ChemSpider: 10166207
ChEBI: 136053
ChEMBL: CHEMBL1213456
ZINC: ZINC000040435195
Wikipedia: Nemonoxacin

Clinical Trials

Clinical Trials Clinical Trial & Rare Diseases Add-on Data Package Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package

Phase	Status	Purpose	Conditions	Count	Start Date	Why Stopped	100+ additional columns
Unlock 175K+ rows when you subscribe.View sample data
4	Completed	Treatment	Community Acquired Pneumonia (CAP)	1	somestatus	stop reason	just information to hide
3	Completed	Treatment	Bacterial Pneumonia	1	somestatus	stop reason	just information to hide
3	Completed	Treatment	Community Acquired Pneumonia (CAP)	1	somestatus	stop reason	just information to hide
3	Completed	Treatment	Pneumonia	1	somestatus	stop reason	just information to hide
2	Completed	Treatment	Community Acquired Pneumonia (CAP)	2	somestatus	stop reason	just information to hide

Pharmacoeconomics

Manufacturers: Not Available
Packagers: Not Available
Dosage Forms: Not Available
Prices: Not Available
Patents: Not Available

Properties

State

Solid

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.453 mg/mL	ALOGPS
logP	0.32	ALOGPS
logP	-0.44	Chemaxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	5.73	Chemaxon
pKa (Strongest Basic)	9.66	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	7	Chemaxon
Hydrogen Donor Count	2	Chemaxon
Polar Surface Area	96.1 Å²	Chemaxon
Rotatable Bond Count	4	Chemaxon
Refractivity	103.06 m³·mol^-1	Chemaxon
Polarizability	40.05 Å³	Chemaxon
Number of Rings	4	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05fr-0009000000-a7133fc98052e9216234
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0009000000-5b176df0d64dab448e11
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0029000000-44786034d7a911202d67
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0009000000-2b5f46350635e598a393
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0229-1049000000-1ea46b7b782de523038e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01q9-0298000000-99368f1791c9fb6ddaff
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	186.06628	predicted	DeepCCS 1.0 (2019)
[M+H]+	188.46187	predicted	DeepCCS 1.0 (2019)
[M+Na]+	194.37437	predicted	DeepCCS 1.0 (2019)

Targets

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Details1. DNA gyrase subunit A

Kind: Protein
Organism: Staphylococcus aureus
Pharmacological action: Yes
Actions: Inhibitor

General Function: A type II topoisomerase that negatively supercoils closed circular double-stranded (ds) DNA in an ATP-dependent manner to modulate DNA topology and maintain chromosomes in an underwound state. Negative supercoiling favors strand separation, and DNA replication, transcription, recombination and repair, all of which involve strand separation. Also able to catalyze the interconversion of other topological isomers of dsDNA rings, including catenanes and knotted rings. Type II topoisomerases break and join 2 DNA strands simultaneously in an ATP-dependent manner.
Specific Function: ATP binding
Gene Name: gyrA
Uniprot ID: P20831
Uniprot Name: DNA gyrase subunit A
Molecular Weight: 99620.34 Da

References

Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]

Details2. DNA gyrase subunit B

Kind: Protein
Organism: Staphylococcus aureus
Pharmacological action: Yes
Actions: Inhibitor

General Function: A type II topoisomerase that negatively supercoils closed circular double-stranded (ds) DNA in an ATP-dependent manner to modulate DNA topology and maintain chromosomes in an underwound state. Negative supercoiling favors strand separation, and DNA replication, transcription, recombination and repair, all of which involve strand separation. Also able to catalyze the interconversion of other topological isomers of dsDNA rings, including catenanes and knotted rings. Type II topoisomerases break and join 2 DNA strands simultaneously in an ATP-dependent manner.
Specific Function: ATP binding
Gene Name: gyrB
Uniprot ID: P0A0K8
Uniprot Name: DNA gyrase subunit B
Molecular Weight: 72539.365 Da

References

Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]

Enzymes

Details1. Cytochrome P450 1A2

Kind: Protein
Organism: Humans
Pharmacological action: No
Actions: Inhibitor
Curator comments: This drug is a quinolone, and these agents are known to inhibit CYP1A2.

General Function: A cytochrome P450 monooxygenase involved in the metabolism of various endogenous substrates, including fatty acids, steroid hormones and vitamins (PubMed:10681376, PubMed:11555828, PubMed:12865317, PubMed:19965576, PubMed:9435160). Mechanistically, uses molecular oxygen inserting one oxygen atom into a substrate, and reducing the second into a water molecule, with two electrons provided by NADPH via cytochrome P450 reductase (NADPH--hemoprotein reductase) (PubMed:10681376, PubMed:11555828, PubMed:12865317, PubMed:19965576, PubMed:9435160). Catalyzes the hydroxylation of carbon-hydrogen bonds (PubMed:11555828, PubMed:12865317). Exhibits high catalytic activity for the formation of hydroxyestrogens from estrone (E1) and 17beta-estradiol (E2), namely 2-hydroxy E1 and E2 (PubMed:11555828, PubMed:12865317). Metabolizes cholesterol toward 25-hydroxycholesterol, a physiological regulator of cellular cholesterol homeostasis (PubMed:21576599). May act as a major enzyme for all-trans retinoic acid biosynthesis in the liver. Catalyzes two successive oxidative transformation of all-trans retinol to all-trans retinal and then to the active form all-trans retinoic acid (PubMed:10681376). Primarily catalyzes stereoselective epoxidation of the last double bond of polyunsaturated fatty acids (PUFA), displaying a strong preference for the (R,S) stereoisomer (PubMed:19965576). Catalyzes bisallylic hydroxylation and omega-1 hydroxylation of PUFA (PubMed:9435160). May also participate in eicosanoids metabolism by converting hydroperoxide species into oxo metabolites (lipoxygenase-like reaction, NADPH-independent) (PubMed:21068195). Plays a role in the oxidative metabolism of xenobiotics. Catalyzes the N-hydroxylation of heterocyclic amines and the O-deethylation of phenacetin (PubMed:14725854). Metabolizes caffeine via N3-demethylation (Probable)
Specific Function: aromatase activity
Gene Name: CYP1A2
Uniprot ID: P05177
Uniprot Name: Cytochrome P450 1A2
Molecular Weight: 58406.915 Da

References

Fuhr U, Strobl G, Manaut F, Anders EM, Sorgel F, Lopez-de-Brinas E, Chu DT, Pernet AG, Mahr G, Sanz F, et al.: Quinolone antibacterial agents: relationship between structure and in vitro inhibition of the human cytochrome P450 isoform CYP1A2. Mol Pharmacol. 1993 Feb;43(2):191-9. [Article]
Shahzadi A, Javed I, Aslam B, Muhammad F, Asi MR, Ashraf MY, Zia-ur-Rahman: Therapeutic effects of ciprofloxacin on the pharmacokinetics of carbamazepine in healthy adult male volunteers. Pak J Pharm Sci. 2011 Jan;24(1):63-8. [Article]
Get to Know an Enzyme: CYP1A2 [Link]

Drug created at March 19, 2008 16:39 / Updated at August 26, 2024 19:23

Nemonoxacin

Identification

Structure for Nemonoxacin (DB06600)

Pharmacology

Interactions

Categories

Chemical Identifiers

References

Clinical Trials

Clinical Trial & Rare Diseases Add-on Data Package

Pharmacoeconomics

Properties

Spectra

Collision Cross Sections (CCS)

Targets

References

References

Enzymes

References