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

General Information of Drug (ID: DMMO3G5)

Drug Name

VS-5584 Drug Info

Synonyms

5-(9-Isopropyl-8-methyl-2-morpholino-9H-purin-6-yl)pyrimidin-2-amine; 1246560-33-7; VS-5584 (SB2343); UNII-W71J4X250V; SB-2343; SB2343; CHEMBL3393066; W71J4X250V; 5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine; C17H22N8O; QYBGBLQCOOISAR-UHFFFAOYSA-N; SCHEMBL539098; GTPL8382; EX-A288; DTXSID10677328; MolPort-035-757-944; HMS3652B16; BCP08247; 2797AH; ZINC95644685; s7016; VS5584; BDBM50059635; AKOS024465057; 5-(9-isopropyl-8-methyl-2-morpholin-4-yl-9H-purin-6-yl)-pyrimidin-2-ylamine; SB16877

Indication

Disease Entry	ICD 11	Status	REF
Malignant mesothelioma	2C26.0	Phase 1	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 1	[2]

Cross-matching ID

PubChem CID: 46912230
ChEBI ID: CHEMBL3393066
CAS Number: CAS 1246560-33-7
TTD Drug ID: DMMO3G5

Molecule-Related Drug Atlas

Molecule Type:

DTT

DOT

Drug Status:

Clinical Trial Drug(s)

Approved Drug(s)

Download the Complete Related Drug List

Drug(s) Targeting Mammalian target of rapamycin complex 1 (mTORC1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
RBT-101	DMDZW8K	Respiratory tract infection	CA45	Phase 3	[6]
AZD2014	DMOEARH	Solid tumour/cancer	2A00-2F9Z	Phase 2	[7]
ME-344	DM6JN19	Breast cancer	2C60-2C65	Phase 1/2	[7]
Palomid-529	DM428Y3	Alzheimer disease	8A20	Phase 1	[8]
NV-5138	DMLKS7W	Major depressive disorder	6A70.3	Phase 1	[9]
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Drug(s) Targeting Serine/threonine-protein kinase mTOR (mTOR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sirolimus	DMGW1ID	Advanced cancer	2A00-2F9Z	Approved	[10]
Temsirolimus	DMS104F	Renal cell carcinoma	2C90	Approved	[11]
PF-04449913	DMSB068	Chronic myelomonocytic leukaemia	2A40	Approved	[12]
Everolimus	DM8X2EH	Advanced cancer	2A00-2F9Z	Approved	[13]
Novolimus	DM6ZPLQ	Artery stenosis	BD52	Approved	[4]
Zotarolimus	DMRMCXW	Solid tumour/cancer	2A00-2F9Z	Approved	[14]
Ridaforolimus	DMLHEU7	Sarcoma	2A60-2C35	Phase 3	[15]
AZD2014	DMOEARH	Solid tumour/cancer	2A00-2F9Z	Phase 2	[16]
MM-141	DM2RJ4D	Pancreatic cancer	2C10	Phase 2	[7]
PQR309	DMMCYZ8	Squamous head and neck cell carcinom	2D60.0	Phase 2	[4]
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Drug(s) Targeting Target of rapamycin complex 2 MAPKAP1 (MTORC2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
AZD2014	DMOEARH	Solid tumour/cancer	2A00-2F9Z	Phase 2	[7]
ME-344	DM6JN19	Breast cancer	2C60-2C65	Phase 1/2	[7]
Palomid-529	DM428Y3	Alzheimer disease	8A20	Phase 1	[8]
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Drug(s) Targeting PI3-kinase gamma (PIK3CG)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BAY 80-6946	DMLOS5R	Follicular lymphoma	2A80	Approved	[17]
IPI-145	DMWA24P	Follicular lymphoma	2A80	Approved	[18]
Buparlisib	DM1WEHC	Breast cancer	2C60-2C65	Phase 3	[19]
Enzastaurin	DM5H0R9	Diffuse large B-cell lymphoma	2A81	Phase 3	[7]
Rigosertib	DMOSTXF	Myelodysplastic syndrome	2A37	Phase 3	[20]
GDC-0032	DMT4QHD	Breast cancer	2C60-2C65	Phase 3	[7]
PQR309	DMMCYZ8	Squamous head and neck cell carcinom	2D60.0	Phase 2	[21]
SAR245409	DMQM7IL	Solid tumour/cancer	2A00-2F9Z	Phase 2	[22]
XL147	DMML7BE	Solid tumour/cancer	2A00-2F9Z	Phase 2	[22]
SF1126	DML10K3	Head and neck cancer	2D42	Phase 2	[23]
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Drug(s) Affected By Bcl-2-like protein 11 (BCL2L11)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Selenium	DM25CGV	N. A.	N. A.	Approved	[24]
Trametinib	DM2JGQ3	Melanoma	2C30	Approved	[25]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[26]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[27]
Remdesivir	DMBFZ6L	Coronavirus Disease 2019 (COVID-19)	1D6Y	Approved	[28]
Crizotinib	DM4F29C	Non-small-cell lung cancer	2C25.Y	Approved	[29]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[30]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[31]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[32]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[33]
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Drug(s) Affected By Myc proto-oncogene protein (MYC)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[34]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[35]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[36]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[37]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[38]
Selenium	DM25CGV	N. A.	N. A.	Approved	[39]
Ribavirin	DMEYLH9	Hepatitis C virus infection	1E51.1	Approved	[40]
Trametinib	DM2JGQ3	Melanoma	2C30	Approved	[25]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[41]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[42]
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Drug(s) Affected By Cyclin-dependent kinase inhibitor 1B (CDKN1B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[43]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[44]
Prednisone	DM2HG4X	Acute asthma	CA23	Approved	[45]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[46]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[47]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[48]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[49]
Fluoxetine	DM3PD2C	Bipolar depression		Approved	[50]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[51]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[52]
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Drug(s) Affected By Tumor necrosis factor ligand superfamily member 6 (FASLG)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[53]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[54]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[55]
Epinephrine	DM3KJBC	Acute asthma	CA23	Approved	[56]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[57]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[58]
Fructose	DM43AN2	Vomiting	MD90	Approved	[59]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[60]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[61]
Rifampicin	DM5DSFZ	Non-insulin dependent diabetes	5A11	Approved	[62]
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Drug(s) Affected By Small ribosomal subunit protein eS6 (RPS6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[63]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[64]
Crizotinib	DM4F29C	Non-small-cell lung cancer	2C25.Y	Approved	[65]
Glucosamine	DM4ZLFD	Osteoarthritis	FA00-FA05	Approved	[66]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[67]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[68]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[69]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[70]
Capivasertib	DM9SKW8	Breast cancer	2C60-2C65	Approved	[71]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[72]
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Drug(s) Affected By Baculoviral IAP repeat-containing protein 3 (BIRC3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Paclitaxel	DMLB81S	Breast carcinoma		Approved	[73]
Aprepitant	DM053KT	Depression	6A70-6A7Z	Approved	[74]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[53]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[75]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[76]
obeticholic acid	DM3Q1SM	Primary biliary cholangitis	DB96.1	Approved	[77]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[78]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[79]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[80]
Trovafloxacin	DM6AN32	Acute gonococcal cervicitis		Approved	[81]
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Drug(s) Affected By Bcl-2-binding component 3, isoforms 3/4 (BBC3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[82]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[75]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[83]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[84]
Dactinomycin	DM2YGNW	Adult kidney Wilms tumor		Approved	[85]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[86]
Penicillamine	DM40EF6	Cystinuria	5C60.2	Approved	[87]
Nefazodone	DM4ZS8M	Major depressive disorder	6A70.3	Approved	[88]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[89]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[32]
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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
Mammalian target of rapamycin complex 1 (mTORC1)	TTX4GLS	MTOR_HUMAN-RPTOR_HUMAN-LST8_HUMAN-AKTS1_HUMAN-DPTOR_HUMAN	Inhibitor	[1]
PI3-kinase gamma (PIK3CG)	TTHBTOP	PK3CG_HUMAN	Modulator	[3]
Serine/threonine-protein kinase mTOR (mTOR)	TTCJG29	MTOR_HUMAN	Modulator	[4]
Target of rapamycin complex 2 MAPKAP1 (MTORC2)	TTWDKCL	SIN1_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Baculoviral IAP repeat-containing protein 3 (BIRC3)	OT3E95KB	BIRC3_HUMAN	Gene/Protein Processing	[5]
Bcl-2-binding component 3, isoforms 3/4 (BBC3)	OTUAXDAY	BBC3B_HUMAN	Gene/Protein Processing	[5]
Bcl-2-like protein 11 (BCL2L11)	OTNQQWFJ	B2L11_HUMAN	Gene/Protein Processing	[5]
Cyclin-dependent kinase inhibitor 1B (CDKN1B)	OTNY5LLZ	CDN1B_HUMAN	Gene/Protein Processing	[5]
E3 ubiquitin-protein ligase XIAP	OT24GP9B	XIAP_HUMAN	Gene/Protein Processing	[5]
Myc proto-oncogene protein (MYC)	OTPV5LUK	MYC_HUMAN	Gene/Protein Processing	[5]
Small ribosomal subunit protein eS6 (RPS6)	OTT4D1LN	RS6_HUMAN	Post-Translational Modifications	[5]
Tumor necrosis factor ligand superfamily member 6 (FASLG)	OTZARCHH	TNFL6_HUMAN	Gene/Protein Processing	[5]

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References

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2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8382).
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