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

General Information of Drug (ID: DMTKD7Q)

Drug Name

BIBW 2992 Drug Info

Synonyms

Afatinib; Tomtovok; Tovok; BIBW-2992; Tovok (TN); Tovok, BIBW2992; (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide; EGFR inhibitor 2nd gens

Indication

Disease Entry	ICD 11	Status	REF
Non-small-cell lung cancer	2C25.Y	Approved	[1]

Cross-matching ID

PubChem CID: 10184653
ChEBI ID: CHEBI:61390
CAS Number: CAS 850140-72-6
TTD Drug ID: DMTKD7Q
VARIDT Drug ID: DR00354

Molecule-Related Drug Atlas

Molecule Type:

DTT

DTP

DOT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

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Drug(s) Targeting Erbb2 tyrosine kinase receptor (HER2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[10]
Dacomitinib	DMOH8VY	Non-small-cell lung cancer	2C25.Y	Approved	[11]
Merimepodib	DM0HS92	Breast cancer	2C60-2C65	Approved	[12]
NERATINIB MALEATE	DMEDU7B	HER2/NEU overexpressing breast cancer	2C60-2C65	Approved	[13]
Margetuximab	DMKEY6S	HER2-positive breast cancer	2C60-2C65	Approved	[14]
Trastuzumab	DMZQOUX	Breast cancer	2C60-2C65	Approved	[15]
Tucatinib	DMBESUA	HER2-positive breast cancer	2C60-2C65	Approved	[16]
Pertuzumab	DMHJV0X	Adrenal gland neoplasm		Approved	[17]
Masoprocol	DMMVNZ0	Prostate cancer	2C82.0	Approved	[18]
HKI-272	DM6QOVN	Breast cancer	2C60-2C65	Phase 3	[19]
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Drug(s) Targeting Epidermal growth factor receptor (EGFR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sorafenib	DMS8IFC	Adenocarcinoma	2D40	Approved	[20]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[10]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[21]
Erlotinib	DMCMBHA	Adrenal gland neoplasm		Approved	[22]
Vandetanib	DMRICNP	Solid tumour/cancer	2A00-2F9Z	Approved	[19]
Dacomitinib	DMOH8VY	Non-small-cell lung cancer	2C25.Y	Approved	[23]
SKI-758	DMQ8E9R	Ischemia	8B10-8B11	Approved	[24]
Epidermal growth factor	DMVONE6	Vulnerary	ND56.Z	Approved	[23]
Merimepodib	DM0HS92	Breast cancer	2C60-2C65	Approved	[12]
Nitroglycerin	DMQ2491	Angina pectoris	BA40	Approved	[25]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[42]
Erlotinib	DMCMBHA	Adrenal gland neoplasm		Approved	[43]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[44]
Gemcitabine	DMSE3I7	Anterior urethra cancer		Approved	[45]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[46]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[47]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[48]
Selenium	DM25CGV	N. A.	N. A.	Approved	[49]
Deoxycholic acid	DM3GYAL	Subcutaneous fat disorder	EF02	Approved	[50]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[51]
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Drug(s) Transported By P-glycoprotein 1 (ABCB1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Amoxicillin	DMUYNEI	Acute otitis media	AB00	Approved	[26]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[27]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[28]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[29]
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[28]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[28]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[30]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[28]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[31]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[32]
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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	[33]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[34]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[35]
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[36]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[37]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[38]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[39]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[38]
Sulfasalazine	DMICA9H	Irritable bowel syndrome	DD91.0	Approved	[40]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[41]
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Drug(s) Affected By Inhibitor of nuclear factor kappa-B kinase subunit beta (IKBKB)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[52]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[53]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[54]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[55]
Vinblastine	DM5TVS3	Advanced cancer	2A00-2F9Z	Approved	[52]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[56]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[57]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[58]
Ibrutinib	DMHZCPO	Mantle cell lymphoma	2A85.5	Approved	[59]
Sulfasalazine	DMICA9H	Irritable bowel syndrome	DD91.0	Approved	[60]
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Drug(s) Affected By Ras GTPase-activating-like protein IQGAP1 (IQGAP1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[61]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[62]
Crizotinib	DM4F29C	Non-small-cell lung cancer	2C25.Y	Approved	[9]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[63]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[64]
Dihydroartemisinin	DMBXVMZ	Malaria	1F40-1F45	Approved	[65]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[58]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[66]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[67]
Temozolomide	DMKECZD	Adenocarcinoma	2D40	Approved	[68]
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Drug(s) Affected By Protein SET (SET)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[69]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[70]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[71]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[72]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[73]
Sevoflurane	DMC9O43	Anaesthesia	9A78.6	Approved	[73]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[74]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[66]
Diethylstilbestrol	DMN3UXQ	Gonorrheal vaginitis	GA02	Approved	[75]
Decitabine	DMQL8XJ	Acute myelogenous leukaemia	2A41	Approved	[76]
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Drug(s) Affected By POU domain, class 5, transcription factor 1 (POU5F1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[77]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[78]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[79]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[80]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[63]
Chlorpromazine	DMBGZI3	Acute intermittent hepatic porphyria	5C58.11	Approved	[81]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[82]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[83]
Lamotrigine	DM8SXYG	Bipolar disorder	6A60	Approved	[84]
Ibuprofen	DM8VCBE	Dysmenorrhea	GA34.3	Approved	[85]
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Drug(s) Affected By Calmodulin-1 (CALM2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[77]
Selenium	DM25CGV	N. A.	N. A.	Approved	[86]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[87]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[88]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[87]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[89]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[90]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[64]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[58]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[66]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Epidermal growth factor receptor (EGFR)	TTGKNB4	EGFR_HUMAN	Inhibitor	[2]
Erbb2 tyrosine kinase receptor (HER2)	TT6EO5L	ERBB2_HUMAN	Inhibitor	[2]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Breast cancer resistance protein (ABCG2)	DTI7UX6	ABCG2_HUMAN	Substrate	[3]
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[3]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Calmodulin-1 (CALM2)	OTNYA92F	CALM1_HUMAN	Drug Response	[4]
Epidermal growth factor receptor (EGFR)	OTAPLO1S	EGFR_HUMAN	Gene/Protein Processing	[5]
Inhibitor of nuclear factor kappa-B kinase subunit beta (IKBKB)	OT9RDS3H	IKKB_HUMAN	Gene/Protein Processing	[6]
POU domain, class 5, transcription factor 1 (POU5F1)	OTDHHN7O	PO5F1_HUMAN	Gene/Protein Processing	[7]
Protein SET (SET)	OTGYYQJO	SET_HUMAN	Protein Interaction/Cellular Processes	[8]
Ras GTPase-activating-like protein IQGAP1 (IQGAP1)	OTZRWTGA	IQGA1_HUMAN	Post-Translational Modifications	[9]

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