Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TYH386V3WJ

Structure

InChI Key MVSQDUZRRVBYLA-HYARGMPZSA-N
Smile C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1cc(Cl)ccc1O
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+

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23ClN4O4S
Molecular Weight 450.95
AlogP 2.14
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 102.31
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sarcoma, Ewing 1 D012512 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297641
FDA SRS TYH386V3WJ
PubChem 135565033
SureChEMBL SCHEMBL14697017