Details of the Drug Combination

General Information of Drug Combination (ID: DCBT6UY)

• Drug Combination Name: Raloxifene + Thioguanine
• Indication: Chronic myelogenous leukemia; Status: Investigative [1]
• Component Drugs:
  Raloxifene (DMDKF3M): Small molecular drug
  Thioguanine (DM7NKEV): Small molecular drug
• High-throughput Screening Result:
  Testing Cell Line: K-562
  Zero Interaction Potency (ZIP) Score: 14.08
  Bliss Independence Score: 13.53
  Loewe Additivity Score: 12.61
  LHighest Single Agent (HSA) Score: 13.12

Molecular Interaction Atlas of This Drug Combination

Indication(s) of Raloxifene

Disease Entry	ICD 11	Status	REF
Osteoporosis	FB83.0	Approved	[2]

Raloxifene Interacts with 1 DTT Molecule(s)

DTT Name	DTT ID	UniProt ID	Mode of Action	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Modulator	[6]

Raloxifene Interacts with 1 DTP Molecule(s)

DTP Name	DTP ID	UniProt ID	Mode of Action	REF
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[7]

Raloxifene Interacts with 3 DME Molecule(s)

DME Name	DME ID	UniProt ID	Mode of Action	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Metabolism	[8]
UDP-glucuronosyltransferase 1A1 (UGT1A1)	DEYGVN4	UD11_HUMAN	Metabolism	[9]
UDP-glucuronosyltransferase 1A10 (UGT1A10)	DEL5N6Y	UD110_HUMAN	Metabolism	[10]

Indication(s) of Thioguanine

Disease Entry	ICD 11	Status	REF
Acute lymphocytic leukaemia	2B33.3	Approved	[2]
Acute myelogenous leukaemia	2A41	Approved	[3]
Acute myeloid leukaemia	2A60	Approved	[4]
Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[5]
Severe acute respiratory syndrome (SARS)	1D65	Preclinical	[5]

Thioguanine Interacts with 3 DTT Molecule(s)

DTT Name	DTT ID	UniProt ID	Mode of Action	REF
MERS-CoV papain-like proteinase (PL-PRO)	TTYJOLE	R1AB_CVEMC (854-2740)	Inhibitor	[5]
Inosine-5'-monophosphate dehydrogenase (IMPDH)	TTCAQMW	NOUNIPROTAC	Intercalator	[11]
SARS-CoV papain-like proteinase (PL-PRO)	TTRGHB2	R1AB_CVHSA (819-2740)	Inhibitor	[5]

Thioguanine Interacts with 3 DTP Molecule(s)

DTP Name	DTP ID	UniProt ID	Mode of Action	REF
Breast cancer resistance protein (ABCG2)	DTI7UX6	ABCG2_HUMAN	Substrate	[12]
Multidrug resistance-associated protein 4 (ABCC4)	DTCSGPB	MRP4_HUMAN	Substrate	[13]
Concentrative Na(+)-nucleoside cotransporter 3 (SLC28A3)	DT4YL5R	S28A3_HUMAN	Substrate	[14]

Thioguanine Interacts with 2 DME Molecule(s)

DME Name	DME ID	UniProt ID	Mode of Action	REF
Thiopurine methyltransferase (TPMT)	DEFQ8VO	TPMT_HUMAN	Metabolism	[15]
Hypoxanthine phosphoribosyltransferase (HPRT1)	DEVXTP5	HPRT_HUMAN	Metabolism	[16]

Thioguanine Interacts with 11 DOT Molecule(s)

DOT Name	DOT ID	UniProt ID	Mode of Action	REF
Thiopurine S-methyltransferase (TPMT)	OTFOX70W	TPMT_HUMAN	Increases ADR	[17]
Hypoxanthine-guanine phosphoribosyltransferase (HPRT1)	OTOEEEXG	HPRT_HUMAN	Decreases Response To Substance	[18]
Thiopurine S-methyltransferase (TPMT)	OTFOX70W	TPMT_HUMAN	Increases ADR	[19]
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2)	OTPG0K7E	IMDH2_HUMAN	Increases Expression	[20]
Cellular tumor antigen p53 (TP53)	OTIE1VH3	P53_HUMAN	Increases Activity	[21]
Dystrophin (DMD)	OTD21T5J	DMD_HUMAN	Increases Splicing	[22]
Occludin (OCLN)	OTSUTVWL	OCLN_HUMAN	Decreases Activity	[23]
DNA mismatch repair protein Msh2 (MSH2)	OT10H1AB	MSH2_HUMAN	Increases Response To Substance	[24]
ATP-binding cassette sub-family C member 5 (ABCC5)	OT34G4US	MRP5_HUMAN	Decreases Response To Substance	[25]
Caspase-8 (CASP8)	OTA8TVI8	CASP8_HUMAN	Increases Response To Substance	[21]
Baculoviral IAP repeat-containing protein 2 (BIRC2)	OTFXFREP	BIRC2_HUMAN	Decreases Response To Substance	[26]

Test Results of This Drug Combination in Other Disease Systems

Indication	DrugCom ID	Cell Line	Status	REF
Adult acute myeloid leukemia	DC2N1P9	HL-60(TB)	Investigative	[1]
Anaplastic large cell lymphoma	DC2L97W	SR	Investigative	[1]
Astrocytoma	DCJLQ54	U251	Investigative	[1]
Astrocytoma	DCN1GAV	SNB-19	Investigative	[1]
Childhood T acute lymphoblastic leukemia	DCLV1C1	CCRF-CEM	Investigative	[1]
Clear cell renal cell carcinoma	DCUJ467	786-0	Investigative	[1]
Clear cell renal cell carcinoma	DC4P03U	CAKI-1	Investigative	[1]
Glioblastoma	DCO82S6	SNB-75	Investigative	[1]
Glioma	DCCVYC9	SF-295	Investigative	[1]
Papillary renal cell carcinoma	DCVWYMS	ACHN	Investigative	[1]
Renal cell carcinoma	DCC8KZQ	SN12C	Investigative	[1]
Breast adenocarcinoma	DCC2G6W	MDA-MB-468	Investigative	[27]
Carcinoma	DCI8OSF	RXF 393	Investigative	[27]
Colon adenocarcinoma	DC2NRLP	COLO 205	Investigative	[27]
Adenocarcinoma	DC6JYMM	HCT-15	Investigative	[28]
Adenocarcinoma	DCTC5DH	HCT116	Investigative	[28]
Adenocarcinoma	DCXU1CP	SW-620	Investigative	[28]
Cutaneous melanoma	DC7FD0B	SK-MEL-5	Investigative	[28]
Large cell lung carcinoma	DC60A57	NCI-H460	Investigative	[28]
Lung adenocarcinoma	DCNYHU0	HOP-62	Investigative	[28]
Malignant melanoma	DCNIUKH	LOX IMVI	Investigative	[28]
Prostate carcinoma	DCWHQNU	PC-3	Investigative	[28]

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