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

General Information of Drug (ID: DMNX2QI)

• Drug Name: Temocaprilate Drug Info
• Synonyms: (+)-(2S,6R)-6-(((1S)-1-carboxy-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid; 2-(4-Carboxymethyl-5-oxo-2-thiophen-2-yl-[1,4]thiazepan-6-ylamino)-4-phenyl-butyric acid; 2D6A12Q12R; AC1L9E45; AJ-48035; AK116088; AKOS016010295; API0000849; AX8152551; BDBM50024710; O437; RNH 5139; RNH-5139; RS 5139; RS-5139; RT-015901; SCHEMBL498916; TL8000320; Temocapril Diacid; Temocaprilat; Temocaprilat [INN:BAN]; ZINC4099102; temocaprilate
• Cross-matching ID:
  PubChem CID: 443151
  ChEBI ID: CHEBI:9436
  CAS Number: CAS 110221-53-9
  TTD Drug ID: DMNX2QI
  VARIDT Drug ID: DR01319

Molecule-Related Drug Atlas

Drug(s) Transported By Multidrug resistance-associated protein 2 (ABCC2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[4]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[5]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[6]
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[7]
Dinoprostone	DMTYOPD	Medical abortion	JA00.1Z	Approved	[8]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[9]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[10]
Sulfasalazine	DMICA9H	Irritable bowel syndrome	DD91.0	Approved	[11]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[12]
Oxaliplatin	DMQNWRD	Adenocarcinoma	2D40	Approved	[13]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[4]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[5]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[6]
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[7]
Dinoprostone	DMTYOPD	Medical abortion	JA00.1Z	Approved	[8]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[9]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[10]
Sulfasalazine	DMICA9H	Irritable bowel syndrome	DD91.0	Approved	[11]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[12]
Oxaliplatin	DMQNWRD	Adenocarcinoma	2D40	Approved	[13]

Drug(s) Transported By Peptide transporter 1 (SLC15A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Amoxicillin	DMUYNEI	Acute otitis media	AB00	Approved	[14]
Sulfasalazine	DMICA9H	Irritable bowel syndrome	DD91.0	Approved	[15]
Ampicillin	DMHWE7P	Acute epiglottitis		Approved	[16]
Losartan	DM72JXH	Diabetic kidney disease	GB61.Z	Approved	[17]
Enalapril	DMNFUZR	Congestive heart failure	BD10	Approved	[18]
Cefazolin	DMPDYFR	Bacteremia	1A73	Approved	[19]
Ceftriaxone	DMCEW64	Acute gonococcal cervicitis		Approved	[20]
Dexamethasone	DMMWZET	Acute adrenal insufficiency		Approved	[15]
Cefadroxil	DMMC345	Bacterial infection	1A00-1C4Z	Approved	[17]
Irbesartan	DMTP1DC	Diabetic kidney disease	GB61.Z	Approved	[17]

Drug(s) Affected By Liver carboxylesterase 1 (CES1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Irinotecan	DMP6SC2	Adenocarcinoma	2D40	Approved	[21]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[22]
Dextropropoxyphene	DM23HCX	Pain	MG30-MG3Z	Approved	[23]
Selenium	DM25CGV	N. A.	N. A.	Approved	[24]
Naloxone	DM3FXMA	Narcotic depression	6A7Z	Approved	[25]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[26]
Tacrine	DM51FY6	Alzheimer disease	8A20	Approved	[27]
Rifampicin	DM5DSFZ	Non-insulin dependent diabetes	5A11	Approved	[28]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[29]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[30]

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Peptide transporter 1 (SLC15A1)	DT9G7XN	S15A1_HUMAN	Substrate	[1]
Multidrug resistance-associated protein 2 (ABCC2)	DTFI42L	MRP2_HUMAN	Substrate	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Liver carboxylesterase 1 (CES1)	OT9L0LR8	EST1_HUMAN	Biotransformations	[3]

References

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• [20] Intestinal transport of beta-lactam antibiotics: analysis of the affinity at the H+/peptide symporter (PEPT1), the uptake into Caco-2 cell monolayers and the transepithelial flux. Pharm Res. 1999 Jan;16(1):55-61.
• [21] Concise prediction models of anticancer efficacy of 8 drugs using expression data from 12 selected genes. Int J Cancer. 2004 Sep 10;111(4):617-26. doi: 10.1002/ijc.20289.
• [22] Cannabidiol Activates Neuronal Precursor Genes in Human Gingival Mesenchymal Stromal Cells. J Cell Biochem. 2017 Jun;118(6):1531-1546. doi: 10.1002/jcb.25815. Epub 2016 Dec 29.
• [23] Binding and hydrolysis of meperidine by human liver carboxylesterase hCE-1. J Pharmacol Exp Ther. 1999 Jul;290(1):314-8.
• [24] Selenium and vitamin E: cell type- and intervention-specific tissue effects in prostate cancer. J Natl Cancer Inst. 2009 Mar 4;101(5):306-20.
• [25] Human carboxylesterase 1: from drug metabolism to drug discovery. Biochem Soc Trans. 2003 Jun;31(Pt 3):620-4. doi: 10.1042/bst0310620.
• [26] Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
• [27] Crystal structure of human carboxylesterase 1 complexed with the Alzheimer's drug tacrine: from binding promiscuity to selective inhibition. Chem Biol. 2003 Apr;10(4):341-9. doi: 10.1016/s1074-5521(03)00071-1.
• [28] Dexamethasone differentially regulates expression of carboxylesterase genes in humans and rats. Drug Metab Dispos. 2000 Feb;28(2):186-91.
• [29] Keratinocyte-derived IL-36gama plays a role in hydroquinone-induced chemical leukoderma through inhibition of melanogenesis in human epidermal melanocytes. Arch Toxicol. 2019 Aug;93(8):2307-2320.
• [30] Proteomics investigations of drug-induced hepatotoxicity in HepG2 cells. Toxicol Sci. 2011 Mar;120(1):109-22.