Details of the Drug Combination

General Information of Drug Combination (ID: DCSCJ8B)

Drug Combination Name
BRL-15572 Methylergonovine
Indication
Disease Entry Status REF
Chronic myelogenous leukemia Investigative [1]
Component Drugs BRL-15572   DMM61Y2 Methylergonovine   DMBEX4O
Small molecular drug Small molecular drug
2D MOL 2D MOL
3D MOL is unavailable 3D MOL
High-throughput Screening Result Testing Cell Line: KBM-7
Zero Interaction Potency (ZIP) Score: 40.54
Bliss Independence Score: 40.54
Loewe Additivity Score: 56.91
LHighest Single Agent (HSA) Score: 56.93

Molecular Interaction Atlas of This Drug Combination

Molecular Interaction Atlas (MIA)
Indication(s) of BRL-15572
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [2]
BRL-15572 Interacts with 9 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
5-HT 1B receptor (HTR1B) TTK8CXU 5HT1B_HUMAN Agonist [4]
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Agonist [4]
5-HT 6 receptor (HTR6) TTJS8PY 5HT6R_HUMAN Agonist [4]
5-HT 2B receptor (HTR2B) TT0K1SC 5HT2B_HUMAN Agonist [4]
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Agonist [4]
5-HT 1F receptor (HTR1F) TT0MI3F 5HT1F_HUMAN Agonist [4]
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_HUMAN Agonist [4]
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Agonist [4]
5-HT 1E receptor (HTR1E) TTCPG9S 5HT1E_HUMAN Agonist [4]
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⏷ Show the Full List of 9 DTT(s)
Indication(s) of Methylergonovine
Disease Entry ICD 11 Status REF
Spontaneous abortion JA00.0 Approved [3]
Methylergonovine Interacts with 1 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Dopamine D1 receptor (D1R) TTZFYLI DRD1_HUMAN Antagonist [5]
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Methylergonovine Interacts with 1 DME Molecule(s)
DME Name DME ID UniProt ID Mode of Action REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Metabolism [6]
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References

1 Recurrent recessive mutation in deoxyguanosine kinase causes idiopathic noncirrhotic portal hypertension.Hepatology. 2016 Jun;63(6):1977-86. doi: 10.1002/hep.28499. Epub 2016 Mar 31.
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: 10).
3 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
4 SB-216641 and BRL-15572--compounds to pharmacologically discriminate h5-HT1B and h5-HT1D receptors. Naunyn Schmiedebergs Arch Pharmacol. 1997 Sep;356(3):312-20.
5 Reinforcement in an in vitro analog of appetitive classical conditioning of feeding behavior in Aplysia: blockade by a dopamine antagonist. Learn Mem. 2005 May-Jun;12(3):216-20.
6 Modulation of cytochrome P450 metabolism by ergonovine and dihydroergotamine. Vet Hum Toxicol. 2003 Feb;45(1):6-9.