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

General Information of Drug (ID: DMXE76K)

• Drug Name: Delamanid Drug Info
• Synonyms: OPC-67683; Nitro-dihydroimidazo-oxazole derivatives (tuberculosis), Otsuka; 2-nitroimidazole derivatives (tuberculosis), Otsuka

Indication

Disease Entry	ICD 11	Status	REF
Multi-drug resistant tuberculosis	MG52.00	Approved	[1]
Mycobacterium infection	1B10-1B21	Phase 3	[2]

• Cross-matching ID:
  PubChem CID: 6480466
  ChEBI ID: CHEBI:134742
  CAS Number: CAS 681492-22-8
  TTD Drug ID: DMXE76K
  INTEDE Drug ID: DR0432

Molecule-Related Drug Atlas

Drug(s) Targeting Bacterial Cell membrane (Bact CM)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Amoxicillin	DMUYNEI	Acute otitis media	AB00	Approved	[4]
Teicoplanin	DMAQ2LK	Bacterial infection	1A00-1C4Z	Approved	[5]
Diphtheria-tetanus vaccine	DM0FSIM	Clostridium infection	1A04	Approved	[6]
D2A21	DMYJ2QB	Burn and burn infection	ND90-NE2Z	Phase 3	[7]
DPK-060	DM059CZ	Atopic dermatitis	EA80	Phase 2	[8]
Brilacidin	DMXI9BP	Acute bacterial skin infection	1C41	Phase 2	[9]
LTX-109	DMXEQ0R	Bacterial infection	1A00-1C4Z	Phase 2	[10]
Friulimicin	DMUI8F3	Bacterial infection	1A00-1C4Z	Phase 1	[11]
IDR-1018	DM1RNT7	Bacterial infection	1A00-1C4Z	Phase 1	[12]
Lotilibcin	DMDLTCU	Bacterial infection	1A00-1C4Z	Phase 1	[13]

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	[14]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[15]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[16]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[17]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[18]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[19]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[20]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[21]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[15]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[22]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Cell membrane (Bact CM)	TTXT4D5	NOUNIPROTAC	Inhibitor	[1]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[3]

References

• [1] Compassionate use of delamanid in adults and children for drug-resistant tuberculosis: 5-year update. Eur Respir J. 2021 May 20;57(5):2002483.
• [2] ClinicalTrials.gov (NCT01424670) Safety and Efficacy Trial of Delamanid for 6 Months in Patients With Multidrug Resistant Tuberculosis. U.S. National Institutes of Health.
• [3] Pharmacokinetics and metabolism of delamanid, a novel anti-tuberculosis drug, in animals and humans: importance of albumin metabolism in vivo. Drug Metab Dispos. 2015 Aug;43(8):1267-76.
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [5] 2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
• [6] 2006 drug approvals: finding the niche. Nat Rev Drug Discov. 2007 Feb;6(2):99-101.
• [7] In Vitro Microbicidal Activities of Cecropin Peptides D2A21 and D4E1 and Gel Formulations Containing 0.1 to 2% D2A21 against Chlamydia trachomatis. Antimicrob Agents Chemother. 2002 January; 46(1): 34-41.
• [8] The re-emergence of natural products for drug discovery in the genomics era. Nat Rev Drug Discov. 2015 Feb;14(2):111-29.
• [9] Comparative mechanistic studies of brilacidin, daptomycin, and the antimicrobial peptide LL16. Antimicrob Agents Chemother. 2014 Sep;58(9):5136-45.
• [10] A synthetic antimicrobial peptidomimetic (LTX 109): stereochemical impact on membrane disruption. J Med Chem. 2011 Aug 25;54(16):5786-95.
• [11] Model membrane approaches to determine the role of calcium for the antimicrobial activity of friulimicin. Int J Antimicrob Agents. 2011 Mar;37(3):256-60.
• [12] Innate Defense Regulator Peptide 1018 in Wound Healing and Wound Infection. PLoS One. 2012; 7(8): e39373.
• [13] Bioactive natural products from Lysobacter. Nat Prod Rep. 2012 November 8; 29(11): 1277-1287.
• [14] 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.
• [15] Contribution of human hepatic cytochrome P450 isoforms to regioselective hydroxylation of steroid hormones. Xenobiotica. 1998 Jun;28(6):539-47.
• [16] 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.
• [17] Isoform-specific regulation of cytochromes P450 expression by estradiol and progesterone. Drug Metab Dispos. 2013 Feb;41(2):263-9.
• [18] 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.
• [19] 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.
• [20] Effects of morin on the pharmacokinetics of etoposide in rats. Biopharm Drug Dispos. 2007 Apr;28(3):151-6.
• [21] The metabolism of zidovudine by human liver microsomes in vitro: formation of 3'-amino-3'-deoxythymidine. Biochem Pharmacol. 1994 Jul 19;48(2):267-76.
• [22] 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.