Details of the Drug Combination

General Information of Drug Combination (ID: DCVOP7Q)

Drug Combination Name
Estramustine SCH-900776
Indication
Disease Entry Status REF
Adenocarcinoma Investigative [1]
Component Drugs Estramustine   DMWTAOI SCH-900776   DM67EMK
Small molecular drug Small molecular drug
2D MOL 2D MOL
3D MOL 3D MOL
High-throughput Screening Result Testing Cell Line: CAOV3
Zero Interaction Potency (ZIP) Score: 5.55
Bliss Independence Score: 6.32
Loewe Additivity Score: 12.09
LHighest Single Agent (HSA) Score: 13.71

Molecular Interaction Atlas of This Drug Combination

Molecular Interaction Atlas (MIA)
Indication(s) of Estramustine
Disease Entry ICD 11 Status REF
Prostate cancer 2C82.0 Approved [2]
Estramustine Interacts with 1 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Estramustine binding protein (EMBP) TTSBFYK NOUNIPROTAC Binder [4]
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Estramustine Interacts with 1 DME Molecule(s)
DME Name DME ID UniProt ID Mode of Action REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Metabolism [5]
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Estramustine Interacts with 1 DOT Molecule(s)
DOT Name DOT ID UniProt ID Mode of Action REF
Keratin, type I cytoskeletal 18 (KRT18) OTVLQFIP K1C18_HUMAN Increases Expression [6]
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Indication(s) of SCH-900776
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 2 [3]
SCH-900776 Interacts with 1 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Checkpoint kinase-1 (CHK1) TTTU902 CHK1_HUMAN Inhibitor [7]
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Test Results of This Drug Combination in Other Disease Systems

Indication DrugCom ID Cell Line Status REF
Ewing sarcoma-peripheral primitive neuroectodermal tumour DCKJ8Q5 ES2 Investigative [8]
Breast and ovarian cancer syndrome DCZQZ8O UWB1289 Investigative [9]
Breast and ovarian cancer syndrome DC6PA6A UWB1289+BRCA1 Investigative [9]
Breast carcinoma DCMVT6M KPL1 Investigative [9]
Breast carcinoma DCTOA3M OCUBM Investigative [9]
Carcinoma DCD8FR0 OV90 Investigative [9]
Carcinoma DCVAV01 EFM192B Investigative [9]
Carcinoma DCH7NKT MDAMB436 Investigative [9]
Colon adenocarcinoma DCGL4IA LOVO Investigative [9]
Invasive ductal carcinoma DCYEI30 T-47D Investigative [9]
Adenocarcinoma DC12K7A OVCAR3 Investigative [1]
Adenocarcinoma DCGWSD1 NCIH23 Investigative [1]
Adenocarcinoma DCODMCR NCIH520 Investigative [1]
Adenocarcinoma DCASNHG COLO320DM Investigative [1]
Adenocarcinoma DC8NXMH HT29 Investigative [1]
Amelanotic melanoma DC8KCAR A2058 Investigative [1]
Germ cell tumour DCHN4GA PA1 Investigative [1]
Large cell lung carcinoma DCBXIRD NCI-H460 Investigative [1]
Malignant melanoma DC9MSVH A375 Investigative [1]
Malignant melanoma DCVGC4Q HT144 Investigative [1]
Malignant melanoma DCV6X24 RPMI7951 Investigative [1]
Malignant melanoma DCBSU7P SKMEL30 Investigative [1]
Malignant melanoma DCHM2QK UACC62 Investigative [1]
Mesothelioma DC5PIBS MSTO Investigative [1]
Non small cell carcinoma DC47NSK SKMES1 Investigative [1]
Ovarian endometrioid adenocarcinoma DCQOYSF A2780 Investigative [1]
Ovarian serous cystadenocarcinoma DC1XDU9 SK-OV-3 Investigative [1]
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⏷ Show the Full List of 27 DrugCom(s)

References

1 CheMBL Affinity Phenotypic Cellular Interaction Assay ID: CHEMBL1125976
2 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
3 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: 7943).
4 Estramustine binding protein in primary tumours and metastases of malignant melanoma. Melanoma Res. 1994 Dec;4(6):401-5.
5 Activity of docetaxel with or without estramustine phosphate versus mitoxantrone in androgen dependent and independent human prostate cancer xenografts. J Urol. 2003 May;169(5):1729-34.
6 Docetaxel induces apoptosis in hormone refractory prostate carcinomas during multiple treatment cycles. Br J Cancer. 2006 Jun 5;94(11):1592-8. doi: 10.1038/sj.bjc.6603129.
7 Targeting the replication checkpoint using SCH 900776, a potent and functionally selective CHK1 inhibitor identified via high content screening. Mol Cancer Ther. 2011 Apr;10(4):591-602.
8 CheMBL Affinity Phenotypic Cellular Interaction Assay ID: CHEMBL1125966
9 CheMBL Affinity Phenotypic Cellular Interaction Assay ID: CHEMBL1126165