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

General Information of Drug (ID: DMPLUHT)

• Drug Name: NSC-115890 Drug Info
• Synonyms: 1,3-Naphthalenediol; 132-86-5; Naphthalene-1,3-diol; 1,3-DIHYDROXYNAPHTHALENE; Naphthoresorcinol; Naphthoresoucinol; 3-Hydroxybenzocyclohexadien-1-one; Naphthoresorcin; CCRIS 7896; UNII-5X457YEW8Y; NSC 115890; AI3-08780; EINECS 205-079-7; NSC-115890; BRN 2044002; 5X457YEW8Y; XOOMNEFVDUTJPP-UHFFFAOYSA-N; MFCD00003965; AK-47815; N-2150; 1,3-Dihydroxynaphthalene, 99+%; 1-Hydroxy-3-naphthol; ACMC-1BVWB; Naphthalenediol-(1,3); 2,4-dihydroxynaphthalene; AC1L1RBY; 1,3-dihydroxy-naphthalene; WLN: L66J BQ DQ; SCHEMBL28681; 4-06-00-06543 (Beilst

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 8601
  CAS Number: CAS 132-86-5
  TTD Drug ID: DMPLUHT

Molecule-Related Drug Atlas

Drug(s) Targeting Quinone reductase 2 (NQO2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Melatonin	DMKWFBT	Depression	6A70-6A7Z	Approved	[3]
NSC-645809	DMPJQZG	Breast cancer	2C60-2C65	Phase 2	[4]
Prolarix	DMZIQ8G	Solid tumour/cancer	2A00-2F9Z	Phase 2	[5]
CB1954	DMVP4YK	Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 2	[6]
Flavin-Adenine Dinucleotide	DM5S4GK	Discovery agent	N.A.	Investigative	[6]
2-iodo-melatonin	DMSEIUP	Discovery agent	N.A.	Investigative	[7]
3,4,5-Trimethoxy-4'-amino-trans-stilbene	DMDBOJ5	Discovery agent	N.A.	Investigative	[8]
NSC-645808	DMMBAR3	Discovery agent	N.A.	Investigative	[4]
decynium 22	DMWCTZ7	Discovery agent	N.A.	Investigative	[1]
NSC-106080	DMR6P9S	Discovery agent	N.A.	Investigative	[1]

Drug(s) Affected By Transient receptor potential cation channel subfamily A member 1 (TRPA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[9]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[2]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[10]
Capsaicin	DMGMF6V	Back pain	ME84.Z	Approved	[11]
Dasatinib	DMJV2EK	Blast phase chronic myelogenous leukemia, BCR-ABL1 positive		Approved	[12]
Menadione	DMSJDTY	Vitamin K deficiency	5B59	Approved	[2]
Mechlorethamine	DM0CVXA	Chronic myelogenous leukaemia	2A20.0	Approved	[13]
SNDX-275	DMH7W9X	Breast cancer	2C60-2C65	Phase 3	[14]
phorbol 12-myristate 13-acetate	DMJWD62	Acute myeloid leukaemia	2A60	Phase 2	[15]
(+)-JQ1	DM1CZSJ	Testicular cancer	2C80	Phase 1	[16]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Quinone reductase 2 (NQO2)	TTJLP0R	NQO2_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Transient receptor potential cation channel subfamily A member 1 (TRPA1)	OTRDIR5M	TRPA1_HUMAN	Gene/Protein Processing	[2]

References

• [1] In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.
• [2] Electrophilic components of diesel exhaust particles (DEP) activate transient receptor potential ankyrin-1 (TRPA1): a probable mechanism of acute pulmonary toxicity for DEP. Chem Res Toxicol. 2011 Jun 20;24(6):950-9. doi: 10.1021/tx200123z. Epub 2011 May 25.
• [3] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [4] Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2. Bioorg Med Chem Lett. 2010 May 1;20(9):2832-6.
• [5] CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.
• [6] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [7] Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem. 2009 Apr 9;52(7):1873-84.
• [8] Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer. Bioorg Med Chem. 2010 Jul 15;18(14):5352-66.
• [9] 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.
• [10] 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.
• [11] The anthelminthic drug praziquantel is a selective agonist of the sensory transient receptor potential melastatin type 8 channel. Toxicol Appl Pharmacol. 2017 Dec 1;336:55-65. doi: 10.1016/j.taap.2017.10.012. Epub 2017 Oct 18.
• [12] Dasatinib reverses cancer-associated fibroblasts (CAFs) from primary lung carcinomas to a phenotype comparable to that of normal fibroblasts. Mol Cancer. 2010 Jun 27;9:168.
• [13] Activation of the human TRPA1 channel by different alkylating sulfur and nitrogen mustards and structurally related chemotherapeutic drugs. Toxicol Lett. 2023 Mar 1;376:51-59. doi: 10.1016/j.toxlet.2023.01.007. Epub 2023 Jan 21.
• [14] Definition of transcriptome-based indices for quantitative characterization of chemically disturbed stem cell development: introduction of the STOP-Toxukn and STOP-Toxukk tests. Arch Toxicol. 2017 Feb;91(2):839-864.
• [15] Mechanisms and Consequences of Variable TRPA1 Expression by Airway Epithelial Cells: Effects of TRPV1 Genotype and Environmental Agonists on Cellular Responses to Pollutants in Vitro and Asthma. Environ Health Perspect. 2023 Feb;131(2):27009. doi: 10.1289/EHP11076. Epub 2023 Feb 27.
• [16] Inhibition of BRD4 attenuates tumor cell self-renewal and suppresses stem cell signaling in MYC driven medulloblastoma. Oncotarget. 2014 May 15;5(9):2355-71.