Subasumstat
Identification
- Generic Name
- Subasumstat
- DrugBank Accession Number
- DB16406
- Background
Subasumstat is under investigation in clinical trial NCT03648372 (A Study to Evaluate the Safety, Tolerability, Preliminary Efficacy and Pharmacokinetics (PK) of TAK-981 in Adult Participants With Advanced or Metastatic Solid Tumors or Relapsed/refractory Hematologic Malignancies and in a Subset With Coronavirus Disease 2019 (COVID-19)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 578.1
Monoisotopic: 577.1220391 - Chemical Formula
- C25H28ClN5O5S2
- Synonyms
- Subasumstat
- External IDs
- Sumoylation inhibitor TAK-981
- TAK 981
- TAK-981
- TAK981
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Subasumstat binds and forms an adduct with SUMO, stopping the protein from transferring from the SUMO-activating enzyme to SUMO-conjugating enzyme UBC9. Downstream, this stops many sumoylated protein-mediated pathways from occurring in tumor cells, like DNA repair, metastasis, and proliferation. Subasumstat is also able to increase the production of type 1 interferon, which activates antitumor immune responses in cells and signals for increased tumor cell death.1,2
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- XQ43H3V6M1
- CAS number
- 1858276-04-6
- InChI Key
- LXRZVMYMQHNYJB-UNXOBOICSA-N
- InChI
- InChI=1S/C25H28ClN5O5S2/c1-13-18(23-19-7-16(26)3-2-14(19)4-5-29-23)9-22(37-13)24(33)20-10-28-12-30-25(20)31-17-6-15(21(32)8-17)11-36-38(27,34)35/h2-3,7,9-10,12,15,17,21,23,29,32H,4-6,8,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,17-,21+,23+/m1/s1
- IUPAC Name
- [(1R,2S,4R)-4-[(5-{4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl]methyl sulfamate
- SMILES
- CC1=C(C=C(S1)C(=O)C1=C(N[C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)C2)N=CN=C1)[C@@H]1NCCC2=C1C=C(Cl)C=C2
References
- General References
- External Links
- ChemSpider
- 72380106
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Recruiting Treatment Solid Tumors 1 1, 2 Active Not Recruiting Treatment Advanced or Metastatic Solid Tumor 1 1, 2 Terminated Treatment Coronavirus Disease 2019 (COVID‑19) / Lymphoma / Neoplasm / Neoplasms, Hematologic 1 1, 2 Terminated Treatment Non-Hodgkin's Lymphoma (NHL) 1 1, 2 Terminated Treatment Relapsed/Refractory Multiple Myeloma (RRMM) 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00419 mg/mL ALOGPS logP 2.47 ALOGPS logP 3.12 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 11.4 Chemaxon pKa (Strongest Basic) 7.73 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 156.53 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 147.26 m3·mol-1 Chemaxon Polarizability 58.69 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 23, 2020 16:35 / Updated at February 21, 2021 18:55