Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6DC9826KIM

Structure

InChI Key ZBXHNCURDISBRO-UHFFFAOYSA-N
Smile O=C1CCC(N2C(=O)c3cccc(CNC(=O)C4CC4)c3C2=O)C(=O)N1
InChI
InChI=1S/C18H17N3O5/c22-13-7-6-12(16(24)20-13)21-17(25)11-3-1-2-10(14(11)18(21)26)8-19-15(23)9-4-5-9/h1-3,9,12H,4-8H2,(H,19,23)(H,20,22,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H17N3O5
Molecular Weight 355.35
AlogP 0.11
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 112.65
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Unclassified protein
- 375 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myelodysplastic Syndromes 1 D009190 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297459
FDA SRS 6DC9826KIM
PubChem 10155135
SureChEMBL SCHEMBL4710467