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

General Information of Drug (ID: DM6QOVN)

• Drug Name: HKI-272 Drug Info
• Synonyms: Neratinib (ERBB2 inhibitor)

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Phase 3	[1] , [2]

• Therapeutic Class: Anticancer Agents
• Cross-matching ID:
  PubChem CID: 9915743
  ChEBI ID: CHEBI:61397
  CAS Number: CAS 698387-09-6
  TTD Drug ID: DM6QOVN
  INTEDE Drug ID: DR1887
  ACDINA Drug ID: D00463

Molecule-Related Drug Atlas

Drug(s) Metabolized By Cytochrome P450 3A4 (CYP3A4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Solid tumour/cancer	2A00-2F9Z	Approved	[7]
Progesterone	DMUY35B	Premature labour	JB00	Approved	[8]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[9]
Estradiol	DMUNTE3	Breast cancer	2C60-2C65	Approved	[10]
Acetaminophen	DMUIE76	Pain	MG30-MG3Z	Approved	[11]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[12]
Etoposide	DMNH3PG	Solid tumour/cancer	2A00-2F9Z	Approved	[13]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[14]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[8]
Verapamil	DMA7PEW	Hypertension	BA00-BA04	Approved	[15]

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	[16]
Dacomitinib	DMOH8VY	Non-small-cell lung cancer	2C25.Y	Approved	[17]
BIBW 2992	DMTKD7Q	Non-small-cell lung cancer	2C25.Y	Approved	[18]
Merimepodib	DM0HS92	Breast cancer	2C60-2C65	Approved	[19]
NERATINIB MALEATE	DMEDU7B	HER2/NEU overexpressing breast cancer	2C60-2C65	Approved	[20]
Margetuximab	DMKEY6S	HER2-positive breast cancer	2C60-2C65	Approved	[21]
Trastuzumab	DMZQOUX	Breast cancer	2C60-2C65	Approved	[22]
Tucatinib	DMBESUA	HER2-positive breast cancer	2C60-2C65	Approved	[23]
Pertuzumab	DMHJV0X	Breast cancer	2C60-2C65	Approved	[24]
Masoprocol	DMMVNZ0	Prostate cancer	2C82.0	Approved	[25]

Drug(s) Targeting Epidermal growth factor receptor (EGFR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sorafenib	DMS8IFC	Hepatocellular carcinoma	2C12.02	Approved	[26]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[16]
Gefitinib	DM15F0X	Solid tumour/cancer	2A00-2F9Z	Approved	[27]
Erlotinib	DMCMBHA	Non-small-cell lung cancer	2C25.Y	Approved	[28]
Vandetanib	DMRICNP	Solid tumour/cancer	2A00-2F9Z	Approved	[5]
Dacomitinib	DMOH8VY	Non-small-cell lung cancer	2C25.Y	Approved	[29]
BIBW 2992	DMTKD7Q	Non-small-cell lung cancer	2C25.Y	Approved	[18]
SKI-758	DMQ8E9R	Ischemia	8B10-8B11	Approved	[30]
Epidermal growth factor	DMVONE6	Vulnerary	ND56.Z	Approved	[29]
Merimepodib	DM0HS92	Breast cancer	2C60-2C65	Approved	[19]

Drug(s) Targeting Vascular endothelial growth factor receptor 2 (KDR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sorafenib	DMS8IFC	Hepatocellular carcinoma	2C12.02	Approved	[31]
Romiplostim	DM3U7SZ	Thrombocytopenia	3B64	Approved	[32]
Regorafenib	DMHSY1I	Metastatic colorectal cancer	2B91	Approved	[33]
Sunitinib	DMCBJSR	Gastrointestinal cancer	2C11	Approved	[34]
Axitinib	DMGVH6N	Renal cell carcinoma	2C90	Approved	[35]
Vandetanib	DMRICNP	Solid tumour/cancer	2A00-2F9Z	Approved	[5]
Pazopanib HCl	DM6U9CQ	Renal cell carcinoma	2C90	Approved	[36]
Cabozantinib	DMIYDT4	Thyroid cancer	2D10	Approved	[37]
Tivozanib	DMUKC5L	Renal cell carcinoma	2C90	Approved	[38]
Lenvatinib	DMB1IU4	Thyroid cancer	2D10	Approved	[39]

Drug(s) Targeting ERBB2 messenger RNA (HER2 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BMS-690514	DMX302C	Chronic pain	MG30	Phase 2	[40]
3,4-di-(4-methoxyphenyl)-1H-pyrrole-2,5-dione	DMDO175	Discovery agent	N.A.	Investigative	[41]
3,4-diphenyl-1H-pyrrole-2,5-dione	DMPK6YT	Discovery agent	N.A.	Investigative	[41]
3-(4-methoxyphenyl)-4-phenyl-1H-pyrrole-2,5-dione	DMGC7RY	Discovery agent	N.A.	Investigative	[41]
BMS-536924	DMXJB4N	Discovery agent	N.A.	Investigative	[42]
3-(indole-3-yl)-4-phenyl-1H-pyrrole-2,5-dione	DM3EV9N	Discovery agent	N.A.	Investigative	[41]
PMID24915291C38	DMBXT9J	Discovery agent	N.A.	Investigative	[43]
Geldanamycin-estradiol hybrid	DMUSJ96	Discovery agent	N.A.	Investigative	[44]
CL-387785	DMLKFZC	Discovery agent	N.A.	Investigative	[45]
HDS-029	DMLRUVA	Discovery agent	N.A.	Investigative	[45]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Epidermal growth factor receptor (EGFR)	TTGKNB4	EGFR_HUMAN	Inhibitor	[3]
ERBB2 messenger RNA (HER2 mRNA)	TTR5TV4	ERBB2_HUMAN	Inhibitor	[4]
Erbb2 tyrosine kinase receptor (HER2)	TT6EO5L	ERBB2_HUMAN	Inhibitor	[5]
Vascular endothelial growth factor receptor 2 (KDR)	TTUTJGQ	VGFR2_HUMAN	Inhibitor	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[6]

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