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

Nitrophenyl acetate Drug Info

Aceticacid,P-Nitrophenylester; 4-Nitrophenyl acetate; P-NITROPHENYL ACETATE; QAUUDNIGJSLPSX-UHFFFAOYSA-N; p-Acetoxynitrobenzene; p-Nitrobenzene acetate; p-Nitrophenol acetate; p-Nitrophenyl acetate (VAN); para-nitrophenyl acetate; (4-nitrophenyl) acetate; 4-Nitrophenyl acetate, 97%; 830-03-5; AI3-00496; Acetic acid 4-nitrophenyl ester; Acetic acid p-nitrophenyl ester; Acetic acid, 4-nitrophenyl ester; Acetic acid, p-nitrophenyl ester; BRN 0515874; CHEBI:82635; EINECS 212-593-5; I902J0QH9S; MFCD00007326; NSC 2633; UNII-I902J0QH9S

Cross-matching ID

PubChem CID

13243

ChEBI ID

CHEBI:82635

CAS Number

CAS 830-03-5

TTD Drug ID

DMHSD8A

INTEDE Drug ID

DR0015

General Information of Drug (ID: DMHSD8A)

Molecule-Related Drug Atlas

Molecule Type:

DME

DOT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

Investigative Drug(s)

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Drug(s) Metabolized By Carboxylesterase 1 (CES1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Irinotecan	DMP6SC2	Adenocarcinoma	2D40	Approved	[8]
Enalapril	DMNFUZR	Congestive heart failure	BD10	Approved	[9]
Candesartan	DMRK8OT	Chronic heart failure	BD1Z	Approved	[10]
Salbutamol	DMN9CWF	Acute asthma	CA23	Approved	[11]
Methylphenidate	DM7SJD6	Attention deficit hyperactivity disorder	6A05.Z	Approved	[12]
PSI-7977	DMLSUWZ	HCV 1-6 infection	1E51	Approved	[13]
Rufinamide	DMWE60C	Epilepsy	8A60-8A68	Approved	[14]
Dexmethylphenidate	DMUQE2A	Attention deficit hyperactivity disorder	6A05.Z	Approved	[15]
MK-4827	DMLYGH4	Ovarian cancer	2C73	Phase 3	[16]
Dabigatran etexilate	DMRDZ4X	Venous thromboembolism	BD72	Phase 3	[17]
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Drug(s) Affected By Aldehyde dehydrogenase family 3 member B1 (ALDH3B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[18]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[19]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[20]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[21]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[22]
Temozolomide	DMKECZD	Adenocarcinoma	2D40	Approved	[23]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[24]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[25]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[26]
Triclosan	DMZUR4N	Malaria	1F40-1F45	Approved	[27]
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Drug(s) Affected By Carboxylesterase 3 (CES3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Irinotecan	DMP6SC2	Adenocarcinoma	2D40	Approved	[28]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[29]
PARAOXON	DMN4ZKC	Discovery agent	N.A.	Investigative	[30]
Sulforaphane	DMQY3L0	Skin disease	EA00-EM0Z	Investigative	[31]
S 3025	DMZN0RW	Discovery agent	N.A.	Investigative	[30]
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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	[32]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[33]
Omeprazole	DM471KJ	Cystic fibrosis	CA25	Approved	[34]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[35]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[36]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[37]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[38]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[39]
Temozolomide	DMKECZD	Adenocarcinoma	2D40	Approved	[23]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[24]
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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	[40]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[41]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[42]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[43]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[35]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[44]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[45]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[46]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[38]
Disulfiram	DMCL2OK	Alcohol dependence	6C40.2	Approved	[47]
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Drug(s) Affected By Serum paraoxonase/arylesterase 1 (PON1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Primidone	DM0WX6I	Epilepsy	8A60-8A68	Approved	[48]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[49]
Methimazole	DM25FL8	Hyperthyroidism	5A02	Approved	[50]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[51]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[52]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[53]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[54]
Rifampicin	DM5DSFZ	Non-insulin dependent diabetes	5A11	Approved	[55]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[56]
Gabapentin	DM6T924	Complex partial seizure	8A68.0	Approved	[48]
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Drug(s) Affected By Aldehyde dehydrogenase, mitochondrial (ALDH2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[57]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[43]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[20]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[44]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[58]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[59]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[38]
Disulfiram	DMCL2OK	Alcohol dependence	6C40.2	Approved	[60]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[61]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[62]
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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
Carboxylesterase 1 (CES1)	DEB30C5	EST1_HUMAN	Substrate	[1]
Carbonic anhydrase II (CA2)	DE1Z0MO	CAH2_HUMAN	Substrate	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Aldehyde dehydrogenase 1A1 (ALDH1A1)	OTCUWZKB	AL1A1_HUMAN	Biotransformations	[3]
Aldehyde dehydrogenase family 3 member B1 (ALDH3B1)	OT5NEUQE	AL3B1_HUMAN	Protein Interaction/Cellular Processes	[4]
Aldehyde dehydrogenase, dimeric NADP-preferring (ALDH3A1)	OTAYZZE6	AL3A1_HUMAN	Biotransformations	[5]
Aldehyde dehydrogenase, mitochondrial (ALDH2)	OTKJ9I3N	ALDH2_HUMAN	Biotransformations	[5]
Carboxylesterase 3 (CES3)	OT00OP43	EST3_HUMAN	Biotransformations	[6]
Serum paraoxonase/arylesterase 1 (PON1)	OTD0Z2XO	PON1_HUMAN	Biotransformations	[7]

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