Details of the Drug

General Information of Drug (ID: DMCP7SD)

Drug Name
Seclidemstat
Synonyms
UNII-TYH386V3WJ; SP-2577; TYH386V3WJ; 1423715-37-0; SP2577; CHEMBL4297641; SCHEMBL14697017; SCHEMBL14697019; EX-A3574; s6722; BS-15371; HY-103713; CS-0039281; Benzoic acid, 3-((4-methyl-1-piperazinyl)sulfonyl)-, (2E)-2-(1-(5-chloro-2-hydroxyphenyl)ethylidene)hydrazide
Indication
Disease Entry ICD 11 Status REF
Ewing sarcoma 2B52 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 450.9
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C20H23ClN4O4S
IUPAC Name
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
Canonical SMILES
C/C(=N\\NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C)/C3=C(C=CC(=C3)Cl)O
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+
InChIKey
MVSQDUZRRVBYLA-HYARGMPZSA-N
Cross-matching ID
PubChem CID
135565033
ChEBI ID
CHEMBL4297641
CAS Number
1423715-37-0
UNII
TYH386V3WJ
DrugBank ID
DB17117
TTD ID
DCWT40
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lysine-specific histone demethylase 1 (LSD) TTNR0UQ KDM1A_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Ewing sarcoma
ICD Disease Classification 2B52
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Lysine-specific histone demethylase 1 (LSD) DTT KDM1A 1.51E-76 0.51 1.91
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03600649) Clinical Trial of SP-2577 (Seclidemstat) in Patients With Relapsed or Refractory Ewing or Ewing-related Sarcomas. U.S. National Institutes of Health.
2 Scaffolding LSD1 Inhibitors Impair NK Cell Metabolism and Cytotoxic Function Through Depletion of Glutathione. Front Immunol. 2020 Sep 17;11:2196.