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Compound Detail

CHEMBL502065

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c1nc(NCc2ccc3c(c2)OCO3)c2sccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL502065
Phase Preclinical
Structure Type MOL
InChI Key BSVUKDVKZCZSHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
3.03
ALogP
6
HBA
1
HBD
56.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N3O2S
MW 285.33
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
19464890 10.1016/j.bmcl.2009.04.145 T47D 1
19464890 10.1016/j.bmcl.2009.04.145 NCI-H1299 1

Data from ChEMBL 36 via Core Engine