NAV

Subasumstat

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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
3D
Similar Structures
Weight
Average: 578.1
Monoisotopic: 577.1220391
Chemical Formula
C25H28ClN5O5S2
Synonyms
  • Subasumstat
External IDs
  • Sumoylation inhibitor TAK-981
  • TAK 981
  • TAK-981
  • TAK981
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
  1. National Cancer Institute: Sumoylation inhibitor TAK-981 [Link]
  2. newdrugapprovals.org: TAK-981 [Link]
ChemSpider
72380106

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1RecruitingTreatmentSolid Tumors1
1, 2Active Not RecruitingTreatmentAdvanced or Metastatic Solid Tumor1
1, 2TerminatedTreatmentCoronavirus Disease 2019 (COVID‑19) / Lymphoma / Neoplasm / Neoplasms, Hematologic1
1, 2TerminatedTreatmentNon-Hodgkin's Lymphoma (NHL)1
1, 2TerminatedTreatmentRelapsed/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
PropertyValueSource
Water Solubility0.00419 mg/mLALOGPS
logP2.47ALOGPS
logP3.12Chemaxon
logS-5.1ALOGPS
pKa (Strongest Acidic)11.4Chemaxon
pKa (Strongest Basic)7.73Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area156.53 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity147.26 m3·mol-1Chemaxon
Polarizability58.69 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0000090000-431a3780e9d964b08d82
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0010090000-0582dfc1d1e5da6d6da1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01qa-3101920000-a50f3d1d25850c62bab0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004j-5242590000-5644f1888a47bae36c71
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udj-1201910000-279a6a7a8c565ceffbcf
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004j-9022230000-fd8e3e218b33fbf985d8
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 23, 2020 16:35 / Updated at February 21, 2021 18:55