Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DM7WFR0)

• Drug Name: VUFB-11502 Drug Info
• Synonyms: Ciadox; Ciadox [INN]; Cyadox; Ciadoxum [INN-Latin]; SCHEMBL1817373; VUFB 11502; 2-formylquinoxaline-1,4-dioxide cyanoacetylhydrazone; 65884-46-0; ACETIC ACID, CYANO-, (2-QUINOXALINYLMETHYLENE)HYDRAZIDE, N,N-DIOXIDE; BRN 0826894; C12H8N5O3; Cyanoacetic acid (2-quinoxalinylmethylene)hydrazide, N(sup 1),N(sup 4)-dioxide; Cyanoacetylhydrazone 2-formylquinoxaline-1,4-dioxide; EINECS 265-963-3; N'-(2-Chinoxalinylmethylen)cyanacetohydrazid 1,4-dioxid; SCHEMBL10793569
• Cross-matching ID:
  PubChem CID: 135412736
  CAS Number: CAS 65884-46-0
  TTD Drug ID: DM7WFR0
  INTEDE Drug ID: DR2704

Molecule-Related Drug Atlas

Drug(s) Metabolized By Cytochrome P450 3A4 (CYP3A4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[2]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[3]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[4]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[5]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[6]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[7]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[8]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[9]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[3]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[10]

Drug(s) Metabolized By Aldehyde oxidase (AOX1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Zaleplon	DMGFWSM	Insomnia	7A00-7A0Z	Approved	[11]
XL147	DMML7BE	Solid tumour/cancer	2A00-2F9Z	Phase 2	[11]
SGX523	DM3RSMF	Solid tumour/cancer	2A00-2F9Z	Phase 1	[12]

Drug(s) Metabolized By NADPH-dependent carbonyl reductase 1 (CBR1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Menadione	DMSJDTY	Vitamin K deficiency	5B59	Approved	[13]
Daunorubicin	DMQUSBT	Acute monocytic leukemia		Approved	[14]
FENOFIBRIC ACID	DMGO2MC	Cardiovascular disease	BA00-BE2Z	Approved	[15]
PGF2alpha	DM4XAU7	Solid tumour/cancer	2A00-2F9Z	Clinical trial	[16]
Phenanthrene-9,10-dione	DMG8KS9	Discovery agent	N.A.	Investigative	[17]
BRN-3548355	DM4KXT0	N. A.	N. A.	Investigative	[18]

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[1]
Aldehyde oxidase (AOX1)	DEAWHS8	AOXA_HUMAN	Substrate	[1]
NADPH-dependent carbonyl reductase 1 (CBR1)	DE9JFMC	CBR1_HUMAN	Substrate	[1]

References

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• [2] Expression levels and activation of a PXR variant are directly related to drug resistance in osteosarcoma cell lines. Cancer. 2007 Mar 1;109(5):957-65.
• [3] Contribution of human hepatic cytochrome P450 isoforms to regioselective hydroxylation of steroid hormones. Xenobiotica. 1998 Jun;28(6):539-47.
• [4] Comprehensive evaluation of tamoxifen sequential biotransformation by the human cytochrome P450 system in vitro: prominent roles for CYP3A and CYP2D6. J Pharmacol Exp Ther. 2004 Sep;310(3):1062-75.
• [5] Isoform-specific regulation of cytochromes P450 expression by estradiol and progesterone. Drug Metab Dispos. 2013 Feb;41(2):263-9.
• [6] Metabolic interactions between acetaminophen (paracetamol) and two flavonoids, luteolin and quercetin, through in-vitro inhibition studies. J Pharm Pharmacol. 2017 Dec;69(12):1762-1772.
• [7] Potent mechanism-based inhibition of CYP3A4 by imatinib explains its liability to interact with CYP3A4 substrates. Br J Pharmacol. 2012 Apr;165(8):2787-98.
• [8] Effects of morin on the pharmacokinetics of etoposide in rats. Biopharm Drug Dispos. 2007 Apr;28(3):151-6.
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• [10] Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.
• [11] Characterization of aldehyde oxidase enzyme activity in cryopreserved human hepatocytes. Drug Metab Dispos. 2012 Feb;40(2):267-75.
• [12] Species-specific metabolism of SGX523 by aldehyde oxidase and the toxicological implications. Drug Metab Dispos. 2010 Aug;38(8):1277-85.
• [13] Polycyclic aromatic hydrocarbon quinones and glutathione thioethers as substrates and inhibitors of the human placental NADP-linked 15-hydroxyprostaglandin dehydrogenase. J Biol Chem. 1987 Sep 15;262(26):12448-51.
• [14] Flavonoids as inhibitors of human carbonyl reductase 1. Chem Biol Interact. 2008 Jul 30;174(2):98-108.
• [15] In vitro metabolism of fenofibric acid by carbonyl reducing enzymes. Chem Biol Interact. 2016 Oct 25;258:153-8.
• [16] Metabolism of prostaglandins by the nonpregnant human uterus. J Clin Endocrinol Metab. 1983 Apr;56(4):678-85.
• [17] Studies on reduction of S-nitrosoglutathione by human carbonyl reductases 1 and 3. Chem Biol Interact. 2011 May 30;191(1-3):95-103.
• [18] Characterization of enzymes participating in carbonyl reduction of 4-methylnitrosamino-1-(3-pyridyl)-1-butanone (NNK) in human placenta. Chem Biol Interact. 2001 Jan 30;130-132(1-3):737-48.