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

General Information of Drug (ID: DMYXELH)

• Drug Name: 1,2-NAPHTHOQUINONE Drug Info
• Synonyms: 1,2-NAPHTHOQUINONE; 524-42-5; 1,2-Naphthalenedione; naphthalene-1,2-dione; o-Naphthoquinone; beta-Naphthoquinone; 1,2-Naphthaquinone; 1,2-Naftochinon; .beta.-Naphthoquinone; 1,2-Naftochinon [Czech]; CCRIS 1558; UNII-804K62F61Q; HSDB 2036; 1,2-dihydronaphthalene-1,2-dione; NSC 9831; EINECS 208-360-2; 1,2-Dihydro-1,2-diketo-naphthalene; BRN 0606546; CHEMBL52347; MLS000069467; AI3-14930; CHEBI:34055; C10H6O2; KETQAJRQOHHATG-UHFFFAOYSA-N; 804K62F61Q; SMR000059112; 1,2-Naphthoquinone, 95%, tech.; NAPHTHALENEDIONE; b-naphthoquinone

Indication

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

• Cross-matching ID:
  PubChem CID: 10667
  ChEBI ID: CHEMBL34055
  CAS Number: CAS 524-42-5
  TTD Drug ID: DMYXELH
  INTEDE Drug ID: DR0006

Molecule-Related Drug Atlas

Drug(s) Targeting Acetylcholinesterase (AChE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tacrine	DM51FY6	Alzheimer disease	8A20	Approved	[13]
Donepezil	DMIYG7Z	Advanced cancer	2A00-2F9Z	Approved	[14]
Malathion	DMXZ84M	Pediculus capitis infestation	1G00.0	Approved	[15]
Galantamine	DMEO794	Alzheimer disease	8A20	Approved	[16]
Huperzine A	DMMAWLU	Alzheimer disease	8A20	Approved	[17]
Neostigmine	DM6T2J3	Myasthenia gravis	8C6Y	Approved	[18]
YM443	DMNZCI1	Functional dyspepsia	DD90.3	Approved	[19]
Ambenonium	DMOP0BL	Myasthenia gravis	8C6Y	Approved	[20]
Demecarium bromide	DMAYEU1	Open-angle glaucoma	9C61	Approved	[21]
Isoflurophate	DMBSK7X	Glaucoma/ocular hypertension	9C61	Approved	[22]

Drug(s) Targeting Liver carboxylesterase (CES1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cholic Acid	DM7OKQV	Cholelithiasis	DC11	Approved	[23]
PACTIMIBE	DM0NZDT	Arteriosclerosis	BD40	Phase 2/3	[24]
K-604	DMQVN6P	Arteriosclerosis	BD40	Phase 2	[25]
Eldacimibe	DML7WP0	Hyperlipidaemia	5C80	Phase 2	[26]
GR148672X	DM7W6YN	Acute lymphoblastic leukaemia	2A85	Clinical trial	[27]
Avasimibe	DMFG4OM	Peripheral vascular disease	BD4Z	Discontinued in Phase 3	[28]
E-5324	DM562BM	Hyperlipidaemia	5C80	Discontinued in Phase 2	[29]
RP-64477	DMTQ3BS	Hyperlipidaemia	5C80	Discontinued in Phase 2	[30]
CI-976	DMBO28J	Hyperlipidaemia	5C80	Discontinued in Phase 2	[31]
CL-283796	DM7LIDT	Hyperlipidaemia	5C80	Discontinued in Phase 2	[32]

Drug(s) Targeting PTPN1 messenger RNA (PTPN1 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[33]
TRYPAN BLUE	DM4NTMO	Ophthalmic surgery injury	PK97	Approved	[34]
URSOLIC ACID	DM4SOAW	Metabolic syndrome x	5C50-5D2Z	Phase 2	[35]
ISIS 113715	DMUPD4G	Type-2 diabetes	5A11	Phase 2	[36]
ISIS-PTP1Brx	DMJGVXT	Type-2 diabetes	5A11	Phase 2	[37]
ERTIPROTAFIB	DMJXEV7	Type-2 diabetes	5A11	Terminated	[38]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[23]
B-Octylglucoside	DMMO75G	Discovery agent	N.A.	Investigative	[23]
2-Methyl-2,4-Pentanediol	DMD45CU	Discovery agent	N.A.	Investigative	[23]
Double Oxidized Cysteine	DM6TU84	Discovery agent	N.A.	Investigative	[23]

Drug(s) Targeting Indoleamine 2,3-dioxygenase 1 (IDO1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
L-Tryptophan	DMIBH7M	Depression	6A70-6A7Z	Approved	[39]
Avastin+/-Tarceva	DMA86FL	Non-small-cell lung cancer	2C25.Y	Phase 3	[2]
BMS-986205	DM3MAYQ	Melanoma	2C30	Phase 3	[40]
INCB24360	DMIJGT9	Urothelial carcinoma	2C92.0	Phase 3	[41]
NLG8189	DM0798Z	Melanoma	2C30	Phase 2/3	[40]
DN1406131	DMQFX8R	Solid tumour/cancer	2A00-2F9Z	Phase 1	[42]
HTI-1090	DMI4TEC	Solid tumour/cancer	2A00-2F9Z	Phase 1	[43]
KHK2455	DMLSUQ8	Solid tumour/cancer	2A00-2F9Z	Phase 1	[40]
LY3381916	DMONZ1L	Solid tumour/cancer	2A00-2F9Z	Phase 1	[40]
PF-06840003	DMOX6EJ	Glioma	2A00.0	Phase 1	[44]

Drug(s) Targeting Cholinesterase (BCHE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hexafluronium bromide	DMFY307	Spasm	MB47.3	Approved	[45]
MEPTAZINOL	DMPSB8F	Pain	MG30-MG3Z	Approved	[46]
Eptastigmine	DMTV7ZM	Cognitive impairment	6D71	Phase 3	[47]
(-)-Phenserine	DMNCY1I	Alzheimer disease	8A20	Phase 3	[48]
Plasma derived human butyrylcholinesterase	DMF3IBC	Neurotoxicity	NE61	Phase 1	[49]
Protexia	DME1Y9W	Alzheimer disease	8A20	Phase 1	[50]
JES-9501	DMYR3IE	Alzheimer disease	8A20	Phase 1	[51]
Tetra-hydro-isoquinoline derivative 3	DMCZA45	N. A.	N. A.	Patented	[52]
Tetra-hydro-isoquinoline derivative 1	DML86IO	N. A.	N. A.	Patented	[52]
Tetra-hydro-isoquinoline derivative 2	DM5CKVF	N. A.	N. A.	Patented	[52]

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	[53]
4-hydroxy-2-nonenal	DM2LJFZ	Discovery agent	N.A.	Investigative	[54]
Hexylacrolein	DMBC8KM	N. A.	N. A.	Investigative	[54]
Acetyl ethylene	DMUH4N7	N. A.	N. A.	Investigative	[54]
J-009747	DMQSB6N	N. A.	N. A.	Investigative	[54]

Drug(s) Metabolized By Sepiapterin reductase (SPR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Menadione	DMSJDTY	Vitamin K deficiency	5B59	Approved	[6]

Drug(s) Affected By Interleukin-8 (CXCL8)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrocortisone	DMGEMB7	Acne vulgaris	ED80	Approved	[55]
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[56]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[57]
Pantothenic acid	DM091H2	Vitamin deficiency	5B55-5B71	Approved	[58]
Mechlorethamine	DM0CVXA	Chronic myelogenous leukaemia	2A20.0	Approved	[59]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[60]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[61]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[62]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[63]
Lumiracoxib	DM1S4AG	Chronic renal failure	GB61.Z	Approved	[61]

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	[64]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[11]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[65]
Capsaicin	DMGMF6V	Back pain	ME84.Z	Approved	[66]
Dasatinib	DMJV2EK	Blast phase chronic myelogenous leukemia, BCR-ABL1 positive		Approved	[67]
Menadione	DMSJDTY	Vitamin K deficiency	5B59	Approved	[11]
Mechlorethamine	DM0CVXA	Chronic myelogenous leukaemia	2A20.0	Approved	[68]
SNDX-275	DMH7W9X	Breast cancer	2C60-2C65	Phase 3	[69]
phorbol 12-myristate 13-acetate	DMJWD62	Acute myeloid leukaemia	2A60	Phase 2	[70]
(+)-JQ1	DM1CZSJ	Testicular cancer	2C80	Phase 1	[71]

Drug(s) Affected By Protein c-Fos (FOS)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[72]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[64]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[73]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[74]
Acebutolol	DM0TI4U	Hypertension	BA00-BA04	Approved	[73]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[75]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[76]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[77]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[78]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[79]

Drug(s) Affected By Mitogen-activated protein kinase 3 (MAPK3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[80]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[81]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[82]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[83]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[84]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[85]
Secobarbital	DM14RF5	Epilepsy	8A60-8A68	Approved	[86]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[87]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[88]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[89]

Drug(s) Affected By Mitogen-activated protein kinase 1 (MAPK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[90]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[81]
Carvedilol	DMHTEAO	Chronic heart failure	BD1Z	Approved	[91]
Paclitaxel	DMLB81S	Breast carcinoma		Approved	[92]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[93]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[80]
Urokinase	DM0GOUD	Myocardial infarction	BA41-BA43	Approved	[94]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[95]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[83]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[84]

Drug(s) Affected By Transient receptor potential cation channel subfamily V member 3 (TRPV3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[96]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[65]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[97]
Camphor	DMWIO46	Acute or chronic pain	MG30-MG31	Approved	[98]
Permethrin	DMZ0Q1G	Pediculus capitis infestation	1G00.0	Approved	[99]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[100]
PMID28460551-Compound-2	DM4DOUB	N. A.	N. A.	Patented	[101]
Manganese	DMKT129	N. A.	N. A.	Investigative	[102]
1,4-Naphthoquinone	DMTCMH7	Discovery agent	N.A.	Investigative	[12]

Drug(s) Affected By Aflatoxin B1 aldehyde reductase member 2 (AKR7A2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[103]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[104]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[105]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[106]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[107]
Piroxicam	DMTK234	Osteoarthritis	FA00-FA05	Approved	[108]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[109]
Phenobarbital	DMXZOCG	Cluster headache	8A81.0	Approved	[110]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[111]
Menadione	DMSJDTY	Vitamin K deficiency	5B59	Approved	[112]

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	[113]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[114]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[115]
Glutathione	DMAHMT9	Human immunodeficiency virus infection	1C62	Approved	[116]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[117]
Disulfiram	DMCL2OK	Alcohol dependence	6C40.2	Approved	[118]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[65]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[105]
Zoledronate	DMIXC7G	Adenocarcinoma	2D40	Approved	[119]
Benzoic Acid	DMKB9FI	Alopecia areata	ED70.2	Approved	[118]

Drug(s) Affected By Dehydrogenase/reductase SDR family member 7 (DHRS7)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Quercetin	DM3NC4M	Obesity	5B81	Approved	[113]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[120]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[117]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[65]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[105]
Temozolomide	DMKECZD	Adenocarcinoma	2D40	Approved	[121]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[106]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[122]
Amphotericin B	DMTAJQE	Acne vulgaris	ED80	Approved	[123]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[124]

Drug(s) Affected By Aldo-keto reductase family 1 member A1 (AKR1A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[125]
Isotretinoin	DM4QTBN	Acne vulgaris	ED80	Approved	[126]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[127]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[105]
Zoledronate	DMIXC7G	Adenocarcinoma	2D40	Approved	[119]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[106]
Phenobarbital	DMXZOCG	Cluster headache	8A81.0	Approved	[110]
Carbamazepine	DMZOLBI	Epilepsy	8A60-8A68	Approved	[127]
Daunorubicin	DMQUSBT	Acute monocytic leukemia		Approved	[125]
Urethane	DM7NSI0	N. A.	N. A.	Phase 4	[128]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_HUMAN	Inhibitor	[1]
Cholinesterase (BCHE)	TTEB0GD	CHLE_HUMAN	Inhibitor	[1]
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Inhibitor	[2]
Liver carboxylesterase (CES1)	TTMF541	EST1_HUMAN	Inhibitor	[1]
PTPN1 messenger RNA (PTPN1 mRNA)	TTELIN2	PTN1_HUMAN	Inhibitor	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
NADPH:quinone reductase (CRYZ)	DE8RYV5	QOR_HUMAN	Substrate	[4]
Dicarbonyl/L-xylulose reductase (DCXR)	DE3FEV8	DCXR_HUMAN	Substrate	[5]
Sepiapterin reductase (SPR)	DEJVDAT	SPRE_HUMAN	Substrate	[6]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Aflatoxin B1 aldehyde reductase member 2 (AKR7A2)	OTGEDDM2	ARK72_HUMAN	Biotransformations	[7]
Aldo-keto reductase family 1 member A1 (AKR1A1)	OTZT9NOW	AK1A1_HUMAN	Biotransformations	[7]
Aldo-keto reductase family 1 member B1 (AKR1B1)	OTRX72TH	ALDR_HUMAN	Biotransformations	[7]
Dehydrogenase/reductase SDR family member 7 (DHRS7)	OTV729DT	DHRS7_HUMAN	Biotransformations	[8]
Interleukin-8 (CXCL8)	OTS7T5VH	IL8_HUMAN	Gene/Protein Processing	[9]
Mitogen-activated protein kinase 1 (MAPK1)	OTH85PI5	MK01_HUMAN	Post-Translational Modifications	[10]
Mitogen-activated protein kinase 3 (MAPK3)	OTCYKGKO	MK03_HUMAN	Post-Translational Modifications	[10]
Protein c-Fos (FOS)	OTJBUVWS	FOS_HUMAN	Protein Interaction/Cellular Processes	[10]
Transient receptor potential cation channel subfamily A member 1 (TRPA1)	OTRDIR5M	TRPA1_HUMAN	Gene/Protein Processing	[11]
Transient receptor potential cation channel subfamily V member 3 (TRPV3)	OTC57YC6	TRPV3_HUMAN	Gene/Protein Processing	[12]

References

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