NAV

Seclidemstat

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

Identification

Generic Name
Seclidemstat
DrugBank Accession Number
DB17117
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 450.94
Monoisotopic: 450.1128541
Chemical Formula
C20H23ClN4O4S
Synonyms
  • Benzoic acid, 3-((4-methyl-1-piperazinyl)sulfonyl)-, (2e)-2-(1-(5-chloro-2-hydroxyphenyl)ethylidene)hydrazide
  • N'-[(1E)-1-(5-chloro-2-hydroxyphenyl)ethylidene]- 3-(4-methylpiperazine-1-sulfonyl)benzohydrazide
External IDs
  • SP-2577
  • SP2577
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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
Not Available
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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Seclidemstat mesylateBD6N473ZLF2044953-70-8JIPBQMGGMHCGBW-CWUUNJJBSA-N

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
TYH386V3WJ
CAS number
1423715-37-0
InChI Key
MVSQDUZRRVBYLA-HYARGMPZSA-N
InChI
InChI=1S/C20H23ClN4O4S/c1-14(18-13-16(21)6-7-19(18)26)22-23-20(27)15-4-3-5-17(12-15)30(28,29)25-10-8-24(2)9-11-25/h3-7,12-13,26H,8-11H2,1-2H3,(H,23,27)/b22-14+
IUPAC Name
N'-[(1E)-1-(5-chloro-2-hydroxyphenyl)ethylidene]-3-[(4-methylpiperazin-1-yl)sulfonyl]benzohydrazide
SMILES
CN1CCN(CC1)S(=O)(=O)C1=CC=CC(=C1)C(=O)N\N=C(/C)C1=C(O)C=CC(Cl)=C1

References

General References
Not Available
ChemSpider
64853793
ChEMBL
CHEMBL4297641

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentAngiomatoid Fibrous Histiocytoma / Clear Cell Sarcoma of Soft Tissue / Desmoplastic Small Round Cell Tumor (DSRCT) / Ewing's Sarcoma / Extra Skeletal Myxoid Chondrosarcomas / Fibromyxoid Tumor / Myoepithelial Tumor / Myxoid Liposarcoma / Primary Pulmonary Myxoid Sarcoma / Sclerosing Epithelioid Fibrosarcoma / Soft Tissue Sarcoma1
1CompletedTreatmentAdvanced Solid Tumors1
1WithdrawnTreatmentEndometrial Cancer / Ovarian Clear Cell Tumor / Ovarian Endometrioid Adenocarcinoma / SCCOHT1
1, 2Enrolling by InvitationTreatmentAngiomatoid Fibrous Histiocytoma / Clear Cell Sarcoma of Soft Tissue / Desmoplastic Small Round Cell Tumor (DSRCT) / Ewing's Sarcoma / Extra Skeletal Myxoid Chondrosarcomas / Low Grade Fibromyxoid Sarcoma / Myoepithelial Tumor / Myxoid Liposarcoma / Sclerosing Epithelioid Fibrosarcoma1
1, 2RecruitingTreatmentChronic Myelomonocytic Leukemia type 0 / Chronic Myelomonocytic Leukemia type 1 / Chronic Myelomonocytic Leukemia type 2 / Chronic, recurrent Myelomonocytic Leukemia / Myelodysplastic Syndrome / Recurrent Myelodysplastic Syndrome1

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 Solubility0.0658 mg/mLALOGPS
logP2.37ALOGPS
logP2.01Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)8.15Chemaxon
pKa (Strongest Basic)5.95Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area102.31 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity116.84 m3·mol-1Chemaxon
Polarizability45.75 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 16, 2022 21:43 / Updated at September 28, 2023 05:47