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

General Information of Drug (ID: DMLBVKQ)

• Drug Name: Entacapone Drug Info
• Synonyms: Comtan; Comtess; Entacapona; Entacaponum; Novartis brand of entacapone; Orion brand of entacapone; KB475572; OR 611; COM-998; Comtan (TN); Entacapona [INN-Spanish]; Entacapone [USAN:INN]; Entacaponum [INN-Latin]; OR-611; Stalevo (TN); Entacapone (JAN/USAN/INN); N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide; (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide; (E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide; (E)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-N,N-diethyl-prop-2-enamide; (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide; (E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide; 2-Cyano-N,N-diethyl-3-(3,4-dihydroxy-5-nitrophenyl)propenamide

Indication

Disease Entry	ICD 11	Status	REF
Parkinson disease	8A00.0	Approved	[1]

• Therapeutic Class: Antiparkinson Agents
• Cross-matching ID:
  PubChem CID: 5281081
  ChEBI ID: CHEBI:4798
  CAS Number: CAS 130929-57-6
  TTD Drug ID: DMLBVKQ
  VARIDT Drug ID: DR01275
  INTEDE Drug ID: DR0581
  ACDINA Drug ID: D00231

Molecule-Related Drug Atlas

Drug(s) Targeting Catechol-O-methyl-transferase (COMT)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Opicapone	DM1BKA6	Parkinson disease	8A00.0	Approved	[9]
Tolcapone	DM8MNVO	Parkinson disease	8A00.0	Approved	[10]
BIA 3-202	DMG3ON2	Parkinson disease	8A00.0	Phase 2	[11]
CGP-28014	DMYNTQV	Major depressive disorder	6A70.3	Phase 2	[12]
Nitecapone	DMSJYEX	Pain	MG30-MG3Z	Discontinued in Phase 2	[13]
PGX-200097	DM1A2UI	Schizophrenia	6A20	Preclinical	[14]
1-(3,4-dihydroxy-5-nitrophenyl)-2-phenoxyethanone	DMKI719	Discovery agent	N.A.	Investigative	[15]
7,8-dihydroxy-4-phenyl-2H-chromen-2-one	DMUB5E8	Discovery agent	N.A.	Investigative	[16]
3,5-Dinitrocatechol	DMBGSHD	Discovery agent	N.A.	Investigative	[17]
1-(3,4-dihydroxy-2-nitrophenyl)-2-phenylethanone	DM9M5D1	Discovery agent	N.A.	Investigative	[18]

Drug(s) Transported By Breast cancer resistance protein (ABCG2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[19]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[20]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[21]
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[22]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[23]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[24]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[25]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[24]
Sulfasalazine	DMICA9H	Irritable bowel syndrome	DD91.0	Approved	[26]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[27]

Drug(s) Transported By Organic anion transporting polypeptide 1B1 (SLCO1B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[28]
Dinoprostone	DMTYOPD	Medical abortion	JA00.1Z	Approved	[29]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[30]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[31]
Sorafenib	DMS8IFC	Adenocarcinoma	2D40	Approved	[30]
Pravastatin	DM6A0X7	Adult acute monocytic leukemia		Approved	[32]
Mycophenolate mofetil	DMPQAGE	Hepatosplenic T-cell lymphoma		Approved	[33]
Atorvastatin	DMF28YC	Acute coronary syndrome	BA41	Approved	[34]
Cerivastatin	DMXCM7H	Hyperlipidaemia	5C80	Approved	[35]
PITAVASTATIN CALCIUM	DM1UJO0	Dyslipidemia	5C80-5C81	Approved	[32]

Drug(s) Metabolized By UDP-glucuronosyltransferase 1A9 (UGT1A9)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[36]
Diclofenac	DMPIHLS	Chronic renal failure	GB61.Z	Approved	[37]
Sorafenib	DMS8IFC	Adenocarcinoma	2D40	Approved	[38]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[39]
Mycophenolate mofetil	DMPQAGE	Hepatosplenic T-cell lymphoma		Approved	[40]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[39]
Ibuprofen	DM8VCBE	Dysmenorrhea	GA34.3	Approved	[39]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[41]
Nateglinide	DMLK2QH	Diabetic complication	5A2Y	Approved	[39]
Haloperidol	DM96SE0	Delirium		Approved	[39]

Drug(s) Affected By Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[42]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[43]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[44]
obeticholic acid	DM3Q1SM	Primary biliary cholangitis	DB96.1	Approved	[45]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[46]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[47]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[48]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[49]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[50]
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[51]

Drug(s) Affected By Proepiregulin (EREG)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[52]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[6]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[53]
Lumiracoxib	DM1S4AG	Chronic renal failure	GB61.Z	Approved	[6]
Clavulanate	DM2FGRT	Bacteremia	1A73	Approved	[6]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[54]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[44]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[55]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[56]
Penbutolol	DM4ES8F	Hypertension	BA00-BA04	Approved	[6]

Drug(s) Affected By Interleukin-1 alpha (IL1A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[57]
Primidone	DM0WX6I	Epilepsy	8A60-8A68	Approved	[6]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[6]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[58]
Clavulanate	DM2FGRT	Bacteremia	1A73	Approved	[6]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[43]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[59]
Rofecoxib	DM3P5DA	Osteoarthritis	FA00-FA05	Approved	[6]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[60]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[47]

Drug(s) Affected By Interleukin-1 beta (IL1B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[61]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[62]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[63]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[6]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[64]
Lumiracoxib	DM1S4AG	Chronic renal failure	GB61.Z	Approved	[6]
Imiquimod	DM1TMA3	Alopecia areata	ED70.2	Approved	[65]
Selenium	DM25CGV	N. A.	N. A.	Approved	[66]
Ribavirin	DMEYLH9	Hepatitis C virus infection	1E51.1	Approved	[67]
Spironolactone	DM2AQ5N	Chronic heart failure	BD1Z	Approved	[68]

Drug(s) Affected By Antileukoproteinase (SLPI)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Primidone	DM0WX6I	Epilepsy	8A60-8A68	Approved	[6]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[6]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[53]
Lumiracoxib	DM1S4AG	Chronic renal failure	GB61.Z	Approved	[6]
Clavulanate	DM2FGRT	Bacteremia	1A73	Approved	[6]
Rofecoxib	DM3P5DA	Osteoarthritis	FA00-FA05	Approved	[6]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[6]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[47]
Penbutolol	DM4ES8F	Hypertension	BA00-BA04	Approved	[6]
Nefazodone	DM4ZS8M	Major depressive disorder	6A70.3	Approved	[6]

Drug(s) Affected By Hepatocyte growth factor receptor (MET)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cabozantinib	DMIYDT4	Medullary thyroid gland carcinoma		Approved	[69]
Crizotinib	DM4F29C	Non-small-cell lung cancer	2C25.Y	Approved	[70]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[6]
Lumiracoxib	DM1S4AG	Chronic renal failure	GB61.Z	Approved	[6]
Clavulanate	DM2FGRT	Bacteremia	1A73	Approved	[6]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[71]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[44]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[6]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[72]
Methylprednisolone	DM4BDON	Acute adrenal insufficiency		Approved	[71]

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrocortisone	DMGEMB7	Acne vulgaris	ED80	Approved	[73]
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[74]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[75]
Pantothenic acid	DM091H2	Vitamin deficiency	5B55-5B71	Approved	[76]
Mechlorethamine	DM0CVXA	Chronic myelogenous leukaemia	2A20.0	Approved	[77]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[62]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[6]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[64]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[78]
Lumiracoxib	DM1S4AG	Chronic renal failure	GB61.Z	Approved	[6]

Drug(s) Affected By Catechol O-methyltransferase (COMT)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Epinephrine	DM3KJBC	Acute asthma	CA23	Approved	[79]
Dobutamine	DMD1B8Z	Heart failure	BD10-BD13	Approved	[79]
Dopamine	DMPGUCF	Acromegaly	5A60.0	Approved	[79]
Modafinil	DMYILBE	Malignant glioma	2A00.0	Approved	[80]
Levodopa	DMN3E57	Parkinson disease	8A00.0	Approved	[79]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[81]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[82]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[83]
Tolcapone	DM8MNVO	Parkinson disease	8A00.0	Approved	[84]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[85]

Drug(s) Affected By Prostaglandin G/H synthase 2 (PTGS2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Eicosapentaenoic acid/docosa-hexaenoic acid	DMMUCG4	Hypertriglyceridemia	5C80.1	Approved	[86]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[87]
Gamolenic acid	DMQN30Z	Allergy	4A80-4A85	Approved	[88]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[89]
Flupentixol	DM0DJ9O	Schizophrenia	6A20	Approved	[90]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[91]
Ibandronate	DM0QZBN	Hypercalcaemia	5B91.0	Approved	[92]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[81]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[6]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[93]

Drug(s) Affected By Tumor necrosis factor-inducible gene 6 protein (TNFAIP6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[94]
Selenium	DM25CGV	N. A.	N. A.	Approved	[66]
Clavulanate	DM2FGRT	Bacteremia	1A73	Approved	[6]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[55]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[95]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[96]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[6]
Nevirapine	DM6HX9B	Human immunodeficiency virus infection	1C62	Approved	[6]
Trihexyphenidyl	DMB19L8	Dystonia	8A02	Approved	[6]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[6]

Drug(s) Affected By PTB-containing, cubilin and LRP1-interacting protein (PID1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[6]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[6]
Penbutolol	DM4ES8F	Hypertension	BA00-BA04	Approved	[6]
Nefazodone	DM4ZS8M	Major depressive disorder	6A70.3	Approved	[6]
Isoniazid	DM5JVS3	Latent tuberculosis infection		Approved	[6]
Amikacin	DM5PDRB	Bacteremia	1A73	Approved	[6]
Nevirapine	DM6HX9B	Human immunodeficiency virus infection	1C62	Approved	[6]
Promethazine	DM6I5GR	Hyperemesis gravidarum		Approved	[6]
Etodolac	DM6WJO9	Osteoarthritis	FA00-FA05	Approved	[6]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[49]

Drug(s) Affected By Cystine/glutamate transporter (SLC7A11)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[97]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[6]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[98]
Lumiracoxib	DM1S4AG	Chronic renal failure	GB61.Z	Approved	[6]
Clavulanate	DM2FGRT	Bacteremia	1A73	Approved	[6]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[71]
Dactinomycin	DM2YGNW	Adult kidney Wilms tumor		Approved	[99]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[44]
Fluoxetine	DM3PD2C	Bipolar depression		Approved	[100]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[6]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Catechol-O-methyl-transferase (COMT)	TTKWFB8	COMT_HUMAN	Inhibitor	[2]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Breast cancer resistance protein (ABCG2)	DTI7UX6	ABCG2_HUMAN	Substrate	[3]
Organic anion transporting polypeptide 1B1 (SLCO1B1)	DT3D8F0	SO1B1_HUMAN	Substrate	[4]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
UDP-glucuronosyltransferase 1A9 (UGT1A9) Main DME	DE85D2P	UD19_HUMAN	Substrate	[5]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Antileukoproteinase (SLPI)	OTUNFUU8	SLPI_HUMAN	Gene/Protein Processing	[6]
Catechol O-methyltransferase (COMT)	OTPWKTQG	COMT_HUMAN	Gene/Protein Processing	[7]
Cystine/glutamate transporter (SLC7A11)	OTKJ6PXW	XCT_HUMAN	Gene/Protein Processing	[6]
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM)	OTR1XD9B	GPAT1_HUMAN	Gene/Protein Processing	[8]
Hepatocyte growth factor receptor (MET)	OT7K55MU	MET_HUMAN	Gene/Protein Processing	[6]
Interleukin-1 alpha (IL1A)	OTPSGILV	IL1A_HUMAN	Gene/Protein Processing	[6]
Interleukin-1 beta (IL1B)	OT0DWXXB	IL1B_HUMAN	Gene/Protein Processing	[6]
Interleukin-8 (CXCL8)	OTS7T5VH	IL8_HUMAN	Gene/Protein Processing	[6]
Proepiregulin (EREG)	OTRM4NQY	EREG_HUMAN	Gene/Protein Processing	[6]
Prostaglandin G/H synthase 2 (PTGS2)	OT75U9M4	PGH2_HUMAN	Gene/Protein Processing	[6]

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