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

J-009747 Drug Info

LMFA06000016; LS-75538; RT-005620; S14-1394; SCHEMBL1269927; SR-01000946533; (E)-4-HYDROXYHEXENAL; (E)-4-Hydroxy-2-hexenal; (E)-4-hydroxy-hex-2-enal; 4-Hydroxy-2-hexenal; JYTUBIHWMKQZRB-ONEGZZNKSA-N; (E)-4-hydroxyhex-2-enal; 1086AH; 160708-91-8; 17427-08-6; 17427-21-3; 2-HEXENAL, 4-HYDROXY-; 2-Hexenal, 4-hydroxy-, (2E)-; 2-Hexenal, 4-hydroxy-, (E)-; 4-Hydroxyhexenal; 4-hydroxy-2E-hexenal; AC1NR205; AKOS006273451; CCRIS 9201; HMS3648N12

Cross-matching ID

PubChem CID

5283314

CAS Number

CAS 17427-08-6

TTD Drug ID

DMQSB6N

INTEDE Drug ID

DR2061

General Information of Drug (ID: DMQSB6N)

Molecule-Related Drug Atlas

Molecule Type:

DME

DOT

Drug Status:

Approved Drug(s)

Investigative Drug(s)

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Drug(s) Metabolized By NADPH:quinone reductase (CRYZ)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Menadione	DMSJDTY	Vitamin K deficiency	5B59	Approved	[4]
1,2-NAPHTHOQUINONE	DMYXELH	Discovery agent	N.A.	Investigative	[5]
4-hydroxy-2-nonenal	DM2LJFZ	Discovery agent	N.A.	Investigative	[1]
Hexylacrolein	DMBC8KM	N. A.	N. A.	Investigative	[1]
Acetyl ethylene	DMUH4N7	N. A.	N. A.	Investigative	[1]
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Drug(s) Affected By Cadherin-1 (CDH1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[6]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[7]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[8]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[9]
Liraglutide	DM3FXPS	Non-insulin dependent diabetes	5A11	Approved	[10]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[11]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[12]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[13]
Polyethylene glycol	DM4I1JP	Constipation	DD91.1	Approved	[14]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[15]
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Drug(s) Affected By Matrix metalloproteinase-9 (MMP9)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[16]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[17]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[18]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[19]
Selenium	DM25CGV	N. A.	N. A.	Approved	[20]
Pentosan Polysulfate	DM2HRKE	Interstitial cystitis	GC00.3	Approved	[21]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[22]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[23]
Dactinomycin	DM2YGNW	Adult kidney Wilms tumor		Approved	[24]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[25]
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Drug(s) Affected By Actin, aortic smooth muscle (ACTA2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[26]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[27]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[28]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[29]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[30]
Pirfenidone	DM6VZFQ	Idiopathic pulmonary fibrosis	CB03.4	Approved	[31]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[32]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[33]
Acocantherin	DM7JT24	Atrial fibrillation	BC81.3	Approved	[34]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[33]
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Drug(s) Affected By Aldo-keto reductase family 1 member B1 (AKR1B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Quercetin	DM3NC4M	Obesity	5B81	Approved	[11]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[28]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[35]
Glutathione	DMAHMT9	Human immunodeficiency virus infection	1C62	Approved	[36]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[37]
Disulfiram	DMCL2OK	Alcohol dependence	6C40.2	Approved	[38]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[39]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[40]
Zoledronate	DMIXC7G	Adenocarcinoma	2D40	Approved	[41]
Benzoic Acid	DMKB9FI	Alopecia areata	ED70.2	Approved	[38]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
NADPH:quinone reductase (CRYZ)^{Main DME}	DE8RYV5	QOR_HUMAN	Substrate	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Actin, aortic smooth muscle (ACTA2)	OTEDLG8E	ACTA_HUMAN	Gene/Protein Processing	[2]
Aldo-keto reductase family 1 member B1 (AKR1B1)	OTRX72TH	ALDR_HUMAN	Biotransformations	[3]
Cadherin-1 (CDH1)	OTFJMXPM	CADH1_HUMAN	Gene/Protein Processing	[2]
Matrix metalloproteinase-9 (MMP9)	OTB2QDAV	MMP9_HUMAN	Gene/Protein Processing	[2]
Vimentin	OTGZLW4J	VIME_HUMAN	Gene/Protein Processing	[2]

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