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

Hexylacrolein Drug Info

Heptylideneacetaldehyde; 2-Nonenal; Non-2-enal; alpha-Nonenyl aldehyde; beta-Hexylacrolein; trans-2-Nonen-1-al; trans-2-Nonenal; trans-2-Nonenal (natural); (E)-2-Nonenal; (E)-2-nonen-1-al; (E)-Non-2-enal; 18829-56-6; 2-NONENAL; 2-Nonen-1-al; 2-Nonenal, (2E)-; 2-Nonenal, (E)-; 2-trans-Nonenal; 2463-53-8; 3-Hexyl-2-propenal; 3-Hexylacrolein; 3-hexyl-acrolein; 8VEO649985; AI3-36268; BRN 1722170; BSAIUMLZVGUGKX-BQYQJAHWSA-N; CCRIS 3326; CCRIS 9203; EINECS 219-562-5; EINECS 242-609-6; FEMA No. 3213; MFCD00007012; NSC 20746; UNII-8VEO649985

Cross-matching ID

PubChem CID

5283335

ChEBI ID

CHEBI:61726

CAS Number

CAS 18829-56-6

TTD Drug ID

DMBC8KM

INTEDE Drug ID

DR2058

General Information of Drug (ID: DMBC8KM)

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	[5]
1,2-NAPHTHOQUINONE	DMYXELH	Discovery agent	N.A.	Investigative	[6]
4-hydroxy-2-nonenal	DM2LJFZ	Discovery agent	N.A.	Investigative	[1]
Acetyl ethylene	DMUH4N7	N. A.	N. A.	Investigative	[1]
J-009747	DMQSB6N	N. A.	N. A.	Investigative	[1]
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Drug(s) Affected By Aldehyde dehydrogenase, dimeric NADP-preferring (ALDH3A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[7]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[8]
Omeprazole	DM471KJ	Cystic fibrosis	CA25	Approved	[9]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[10]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[11]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[12]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[13]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[14]
Temozolomide	DMKECZD	Adenocarcinoma	2D40	Approved	[15]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[16]
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Drug(s) Affected By Aldehyde dehydrogenase 1A1 (ALDH1A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[17]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[18]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[19]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[20]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[10]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[21]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[22]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[23]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[13]
Disulfiram	DMCL2OK	Alcohol dependence	6C40.2	Approved	[24]
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Drug(s) Affected By Glutathione S-transferase Mu 3 (GSTM3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[25]
Penicillamine	DM40EF6	Cystinuria	5C60.2	Approved	[26]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[27]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[28]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[29]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[30]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[31]
Temozolomide	DMKECZD	Adenocarcinoma	2D40	Approved	[15]
Diethylstilbestrol	DMN3UXQ	Gonorrheal vaginitis	GA02	Approved	[32]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	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	[20]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[34]
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	[29]
Disulfiram	DMCL2OK	Alcohol dependence	6C40.2	Approved	[37]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[38]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[31]
Zoledronate	DMIXC7G	Adenocarcinoma	2D40	Approved	[39]
Benzoic Acid	DMKB9FI	Alopecia areata	ED70.2	Approved	[37]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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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
Aldehyde dehydrogenase 1A1 (ALDH1A1)	OTCUWZKB	AL1A1_HUMAN	Drug Response	[2]
Aldehyde dehydrogenase, dimeric NADP-preferring (ALDH3A1)	OTAYZZE6	AL3A1_HUMAN	Drug Response	[2]
Aldo-keto reductase family 1 member B1 (AKR1B1)	OTRX72TH	ALDR_HUMAN	Biotransformations	[3]
Glutathione S-transferase Mu 3 (GSTM3)	OTLA2WJT	GSTM3_HUMAN	Regulation of Drug Effects	[4]

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