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

General Information of Drug (ID: DM1Z3D7)

• Drug Name: PD-169316 Drug Info
• Synonyms: PD 169316; 152121-53-4; PD-169316; PD169316; 4-(4-Fluorophenyl)-2-(4-nitrophenyl)-5-(4-pyridyl)-1H-imidazole; 4-(4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl)pyridine; 4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine; UNII-GX3Y2V80CV; PD168316; GX3Y2V80CV; CHEMBL17331; Pyridine, 4-(4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl)-; Pyridine, 4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]-; C20H13FN4O2; BGIYKDUASORTBB-UHFFFAOYSA-N; PubChem23987; AC1L1ISA

Indication

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

• Cross-matching ID:
  PubChem CID: 4712
  ChEBI ID: CHEBI:93358
  CAS Number: CAS 152121-53-4
  TTD Drug ID: DM1Z3D7

Molecule-Related Drug Atlas

Drug(s) Targeting LOX-5 messenger RNA (ALOX5 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
TEBUFELONE	DMMUE8P	Pain	MG30-MG3Z	Discontinued in Phase 2	[5]
ZD-2138	DMVFCX7	Asthma	CA23	Discontinued in Phase 2	[6]
BW A4C	DMNUMDG	Arthritis	FA20	Terminated	[7]
KAEMPFEROL	DMHEMUB	Discovery agent	N.A.	Investigative	[8]
2,4'-Dimethoxy-5,3'-di-(2-propenyl)-biphenyl	DMWNJ84	Discovery agent	N.A.	Investigative	[9]
METHYLHONOKIOL	DM9YE6K	Discovery agent	N.A.	Investigative	[9]
HONOKIOL	DMJWT3X	Discovery agent	N.A.	Investigative	[9]
PUUPEHEDIONE	DMF28IU	Discovery agent	N.A.	Investigative	[10]
PUUPEHENONE	DMF3BCK	Discovery agent	N.A.	Investigative	[10]
Isojaspic acid	DMHTBDN	Discovery agent	N.A.	Investigative	[10]

Drug(s) Affected By Cytochrome P450 1A1 (CYP1A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Amodiaquine	DME4RA8	Malaria	1F40-1F45	Approved	[11]
Riluzole	DMECBWN	Amyotrophic lateral sclerosis	8B60.0	Approved	[12]
Flutamide	DMK0O7U	Prostate cancer	2C82.0	Approved	[13]
Menadione	DMSJDTY	Vitamin K deficiency	5B59	Approved	[14]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[15]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[16]
Ethacrynic acid	DM60QMR	Edema	MG29	Approved	[17]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[18]
Ethinyl Estradiol	DMODJ40	Acne vulgaris	ED80	Approved	[19]
Clofibrate	DMPC1J7	Dysbetalipoproteinemia	5C80.2	Approved	[20]

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	[21]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[22]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[23]
Capsaicin	DMGMF6V	Back pain	ME84.Z	Approved	[24]
Dasatinib	DMJV2EK	Blast phase chronic myelogenous leukemia, BCR-ABL1 positive		Approved	[25]
Menadione	DMSJDTY	Vitamin K deficiency	5B59	Approved	[22]
Mechlorethamine	DM0CVXA	Chronic myelogenous leukaemia	2A20.0	Approved	[26]
SNDX-275	DMH7W9X	Breast cancer	2C60-2C65	Phase 3	[27]
phorbol 12-myristate 13-acetate	DMJWD62	Acute myeloid leukaemia	2A60	Phase 2	[4]
(+)-JQ1	DM1CZSJ	Testicular cancer	2C80	Phase 1	[28]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
LOX-5 messenger RNA (ALOX5 mRNA)	TTSJ6Q4	LOX5_HUMAN	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 1A1 (CYP1A1)	OTE4EFH8	CP1A1_HUMAN	Gene/Protein Processing	[3]
Transient receptor potential cation channel subfamily A member 1 (TRPA1)	OTRDIR5M	TRPA1_HUMAN	Gene/Protein Processing	[4]

References

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• [17] Isoform-specific induction of a human aldo-keto reductase by polycyclic aromatic hydrocarbons (PAHs), electrophiles, and oxidative stress: implications for the alternative pathway of PAH activation catalyzed by human dihydrodiol dehydrogenase. Cancer Res. 1999 Feb 1;59(3):607-14.
• [18] Gene expression changes in human small airway epithelial cells exposed to Delta9-tetrahydrocannabinol. Toxicol Lett. 2005 Aug 14;158(2):95-107.
• [19] The metallohormone cadmium modulates AhR-associated gene expression in the small intestine of rats similar to ethinyl-estradiol. Arch Toxicol. 2013 Apr;87(4):633-43.
• [20] Evidence for a new human CYP1A1 regulation pathway involving PPAR-alpha and 2 PPRE sites. Gastroenterology. 2004 Nov;127(5):1436-45.
• [21] 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.
• [22] 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.
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• [24] 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.
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• [26] 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.
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• [28] 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.