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

General Information of Drug (ID: DMMPTLH)

• Drug Name: Entrectinib Drug Info
• Synonyms: 1108743-60-7; RXDX-101; UNII-L5ORF0AN1I; Entrectinib (RXDX-101); L5ORF0AN1I; Benzamide, N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methyl-1-piperazinyl)-2-[(tetrahydro-2H-pyran-4-yl)amino]-; Benzamide, N-(5-((3,5-difluorophenyl)methyl)-1H-indazol-3-yl)-4-(4-methyl-1-piperazinyl)-2-((tetrahydro-2H-pyran-4-yl)amino)-; Entrectinib [USAN:INN]; YMX; Kinome_2659; Entrectinib(rxdx-101); Entrectinib (USAN/INN); SCHEMBL3512601; GTPL8290; CHEMBL1983268; KS-00000TSK

Indication

Disease Entry	ICD 11	Status	REF
Non-small-cell lung cancer	2C25	Approved	[1]
Colorectal cancer	2B91.Z	Phase 2	[2]
Solid tumour/cancer	2A00-2F9Z	Phase 2	[3]
Mammary analogue secretory carcinoma	2C60	Phase 1	[4]
Neuroblastoma	2D11.2	Phase 1	[2]

• Cross-matching ID:
  PubChem CID: 25141092
  CAS Number: CAS 1108743-60-7
  TTD Drug ID: DMMPTLH
  INTEDE Drug ID: DR0582
  ACDINA Drug ID: D01050

Molecule-Related Drug Atlas

Drug(s) Targeting Tropomyosin-related kinase A (TrkA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Repotrectinib	DM9FB2T	Non-small-cell lung cancer	2C25	Approved	[6]
Larotrectinib	DM26CQR	Solid tumour/cancer	2A00-2F9Z	Approved	[7]
MIM-D3	DMZHN5B	Alzheimer disease	8A20	Phase 3	[8]
SNA-120	DMPN314	Plaque psoriasis	EA90.0	Phase 2	[9]
CT 327	DMQXL1T	Plaque psoriasis	EA90.0	Phase 2	[10]
ONO-7579	DMXLPYE	Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[6]
Altiratinib	DMUJCBT	Solid tumour/cancer	2A00-2F9Z	Phase 1	[11]
PLX7486	DM0IVGU	Pancreatic cancer	2C10	Phase 1	[12]
DS-6051	DM0RD4F	Solid tumour/cancer	2A00-2F9Z	Phase 1	[13]
LOXO-195	DMDXFBJ	Solid tumour/cancer	2A00-2F9Z	Phase 1	[6]

Drug(s) Targeting NT-3 growth factor receptor (TrkC)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Larotrectinib	DM26CQR	Solid tumour/cancer	2A00-2F9Z	Approved	[7]
MK-2461	DM21WBH	Alzheimer disease	8A20	Phase 1/2	[14]
Altiratinib	DMUJCBT	Solid tumour/cancer	2A00-2F9Z	Phase 1	[11]
PMID28270021-Compound-WO2016054807Example1	DMD5QEL	Chronic pain	MG30	Patented	[15]
PMID28270010-Compound-Figure24-b	DM0QHLK	N. A.	N. A.	Patented	[11]
Pyrrolo[2,3-d]pyrimidine derivative 4	DME0WSR	Chronic pain	MG30	Patented	[15]
3-amino-5-benzyl-substituted indazole derivative 1	DMFDURZ	Chronic pain	MG30	Patented	[15]
PMID28270010-Compound-Figure5-1	DM2YAPJ	N. A.	N. A.	Patented	[11]
PMID28270021-Compound-WO2015042088Example4	DM6KXOQ	Chronic pain	MG30	Patented	[15]
PMID28270010-Compound-Figure5-2	DMK3GRZ	N. A.	N. A.	Patented	[11]

Drug(s) Targeting ALK tyrosine kinase receptor (ALK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Crizotinib	DM4F29C	Non-small-cell lung cancer	2C25.Y	Approved	[16]
Lorlatinib	DMICDLV	Non-small-cell lung cancer	2C25.Y	Approved	[7]
Brigatinib	DM7W94S	Anaplastic large cell lymphoma	2A90.A	Approved	[17]
Repotrectinib	DM9FB2T	Non-small-cell lung cancer	2C25	Approved	[6]
Ceritinib	DMB920Z	Non-small-cell lung cancer	2C25.Y	Approved	[18]
Alectinib	DMP1I6Y	Lung cancer	2C25.0	Approved	[19]
Ensartinib	DMIKDCQ	Non-small-cell lung cancer	2C25.Y	Phase 3	[6]
PF-06463922	DMKM7EW	Non-small-cell lung cancer	2C25.Y	Phase 2	[20]
AP26113	DMYBQEF	Solid tumour/cancer	2A00-2F9Z	Phase 2	[21]
TSR-011	DMFOR9Y	Non-small-cell lung cancer	2C25.Y	Phase 1/2	[22]

Drug(s) Targeting Proto-oncogene c-Ros (ROS1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Crizotinib	DM4F29C	Non-small-cell lung cancer	2C25.Y	Approved	[16]
Lorlatinib	DMICDLV	Non-small-cell lung cancer	2C25.Y	Approved	[7]
Repotrectinib	DM9FB2T	Non-small-cell lung cancer	2C25	Approved	[6]
AB-106	DMEW62S	Non-small-cell lung cancer	2C25	Phase 2	[23]
DS-6051	DM0RD4F	Solid tumour/cancer	2A00-2F9Z	Phase 1	[13]
Carboxamide derivative 4	DMU5GKC	N. A.	N. A.	Patented	[24]
Imidazo[1,2-b]pyridazine derivative 2	DM1JYNW	Solid tumour/cancer	2A00-2F9Z	Patented	[11]
Imidazo[1,2-b]pyridazine derivative 3	DMPDTG0	Solid tumour/cancer	2A00-2F9Z	Patented	[11]
PMID28270010-Compound-Figure21-b	DM6IYAT	Brain metastases	2D50	Patented	[11]
Imidazo[1,2-b]pyridazine derivative 1	DMULTAI	Solid tumour/cancer	2A00-2F9Z	Patented	[11]

Drug(s) Targeting BDNF/NT-3 growth factors receptor (TrkB)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Larotrectinib	DM26CQR	Solid tumour/cancer	2A00-2F9Z	Approved	[7]
MK-2461	DM21WBH	Alzheimer disease	8A20	Phase 1/2	[14]
PMID28270021-Compound-WO2016054807Example1	DMD5QEL	Chronic pain	MG30	Patented	[15]
PMID28270010-Compound-Figure24-b	DM0QHLK	N. A.	N. A.	Patented	[11]
Pyrrolo[2,3-d]pyrimidine derivative 4	DME0WSR	Chronic pain	MG30	Patented	[15]
3-amino-5-benzyl-substituted indazole derivative 1	DMFDURZ	Chronic pain	MG30	Patented	[15]
PMID28270010-Compound-Figure5-1	DM2YAPJ	N. A.	N. A.	Patented	[11]
PMID28270021-Compound-WO2015042088Example4	DM6KXOQ	Chronic pain	MG30	Patented	[15]
PMID28270010-Compound-Figure5-2	DMK3GRZ	N. A.	N. A.	Patented	[11]
PMID28270010-Compound-Figure5-3	DMSOT1R	N. A.	N. A.	Patented	[11]

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[25]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[26]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[27]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[28]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[29]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[30]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[31]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[32]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[26]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[33]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
ALK tyrosine kinase receptor (ALK)	TTPMQSO	ALK_HUMAN	Inhibitor	[1]
BDNF/NT-3 growth factors receptor (TrkB)	TTKN7QR	NTRK2_HUMAN	Inhibitor	[1]
NT-3 growth factor receptor (TrkC)	TTXABCW	NTRK3_HUMAN	Inhibitor	[1]
Proto-oncogene c-Ros (ROS1)	TTSZ6Y3	ROS1_HUMAN	Inhibitor	[1]
Tropomyosin-related kinase A (TrkA)	TTTDVOJ	NTRK1_HUMAN	Inhibitor	[1]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[5]

References

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