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

General Information of Drug (ID: DMMLQZJ)

• Drug Name: Indan-1-ol Drug Info
• Synonyms: Indan-1-ol; 1-Indanol; Indanol; L-INDANOL; SCHEMBL1747186; YIAPLDFPUUJILH-UHFFFAOYSA-N; (-)-indanol; 1-Hydroxyhydrindene; 1-Hydroxyindan; 1-Hydroxyindane; 1-INDANOL; 1-Indanol, 98%; 1-Indanole; 1H-Inden-1-ol, 2,3-dihydro-; 1H-Inden-1-ol,3-dihydro-; 1H-Indenol, 2,3-dihydro-; 1H-Indenol,2,3-dihydro-; 2,3-Dihydro-1H-inden-1-ol; 36643-74-0; 4-06-00-03824 (Beilstein Handbook Reference); AC1L2L5X; AC1Q7AG7; ACMC-1ATT8; ACMC-20aphe; BRN 2042960; CHEBI:16697; CTK4H6942; EINECS 253-146-4; KS-00000MBA; MFCD00003797; NSC31258; SCHEMBL57132
• Cross-matching ID:
  PubChem CID: 22819
  ChEBI ID: CHEBI:16697
  CAS Number: CAS 6351-10-6
  TTD Drug ID: DMMLQZJ
  INTEDE Drug ID: DR2001

Molecule-Related Drug Atlas

Drug(s) Metabolized By Aldo-keto reductase 1C3 (AKR1C3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[4]
FENOFIBRIC ACID	DMGO2MC	Cardiovascular disease	BA00-BE2Z	Approved	[5]
ANDROSTERONE	DMITJAK	N. A.	N. A.	Phase 3	[1]
Trastuzumab emtansine	DMU1LXS	HER2-positive breast cancer	2C60-2C65	Phase 2	[6]
4-oxo-nonenal	DMPX1J9	Discovery agent	N.A.	Investigative	[7]
Acenaphthenol	DMT3QYZ	N. A.	N. A.	Investigative	[1]

Drug(s) Affected By Aldo-keto reductase family 1 member B10 (AKR1B10)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[8]
Clavulanate	DM2FGRT	Bacteremia	1A73	Approved	[9]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[10]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[11]
Rifampicin	DM5DSFZ	Non-insulin dependent diabetes	5A11	Approved	[12]
Isoniazid	DM5JVS3	Latent tuberculosis infection		Approved	[13]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[14]
Reserpine	DM6VM38	Hypertension	BA00-BA04	Approved	[15]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[16]
Disulfiram	DMCL2OK	Alcohol dependence	6C40.2	Approved	[17]

Drug(s) Affected By Aldo-keto reductase family 1 member C4 (AKR1C4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Meclofenamic acid	DM05FXR	Ankylosing spondylitis	FA92.0	Approved	[18]
Diazepam	DM08E9O	Alcohol withdrawal		Approved	[19]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[20]
Benzbromarone	DMC3YUA	Gout	FA25	Approved	[21]
Flufenamic Acid	DMC8VNH	Dysmenorrhea	GA34.3	Approved	[21]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[22]
Nitrazepam	DMEGIQ6	Epilepsy	8A60-8A68	Approved	[19]
Flunitrazepam	DMGR5Z3	Insomnia	7A00-7A0Z	Approved	[19]
Chenodiol	DMQ8JIK	Cholelithiasis	DC11	Approved	[23]
Gamolenic acid	DMQN30Z	Allergy	4A80-4A85	Approved	[24]

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Aldo-keto reductase 1C3 (AKR1C3) Main DME	DEGQTXO	AK1C3_HUMAN	Substrate	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Aldo-keto reductase family 1 member B10 (AKR1B10)	OTOA4HTH	AK1BA_HUMAN	Biotransformations	[2]
Aldo-keto reductase family 1 member C4 (AKR1C4)	OTW2MMOF	AK1C4_HUMAN	Biotransformations	[3]

References

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• [11] Transcriptomic analysis of untreated and drug-treated differentiated HepaRG cells over a 2-week period. Toxicol In Vitro. 2015 Dec 25;30(1 Pt A):27-35.
• [12] Identification of approved drugs as potent inhibitors of pregnane X receptor activation with differential receptor interaction profiles. Arch Toxicol. 2018 Apr;92(4):1435-1451.
• [13] Characterization of drug-specific signaling between primary human hepatocytes and immune cells. Toxicol Sci. 2017 Jul 1;158(1):76-89.
• [14] 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.
• [15] Oxidative stress mechanisms do not discriminate between genotoxic and nongenotoxic liver carcinogens. Chem Res Toxicol. 2015 Aug 17;28(8):1636-46.
• [16] Integrative "-Omics" analysis in primary human hepatocytes unravels persistent mechanisms of cyclosporine A-induced cholestasis. Chem Res Toxicol. 2016 Dec 19;29(12):2164-2174.
• [17] Keratinocyte gene expression profiles discriminate sensitizing and irritating compounds. Toxicol Sci. 2010 Sep;117(1):81-9.
• [18] Initro CAPE inhibitory activity towards human AKR1C3 and the molecular basis. Chem Biol Interact. 2016 Jun 25;253:60-5.
• [19] Substrate specificity of human 3(20)alpha-hydroxysteroid dehydrogenase for neurosteroids and its inhibition by benzodiazepines. Biol Pharm Bull. 2002 Apr;25(4):441-5.
• [20] Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
• [21] Selective and potent inhibitors of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1) that metabolizes neurosteroids derived from progesterone. Chem Biol Interact. 2003 Feb 1;143-144:503-13.
• [22] Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
• [23] Chenodeoxycholic acid significantly impacts the expression of miRNAs and genes involved in lipid, bile acid and drug metabolism in human hepatocytes. Life Sci. 2016 Jul 1;156:47-56.
• [24] Antineoplastic effects of gamma linolenic Acid on hepatocellular carcinoma cell lines. J Clin Biochem Nutr. 2010 Jul;47(1):81-90.