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Compound Detail

CHEMBL498217

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COc1ccc(N(C)c2ncnc3cc(-c4cccnc4)sc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL498217
Phase Preclinical
Structure Type MOL
InChI Key YAEPFUAEUCXVSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
4.53
ALogP
6
HBA
0
HBD
51.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N4OS
MW 348.43
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.38

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