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Compound Detail

CHEMBL496425

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c1ccc(-c2cc3ncnc(Nc4ccc5c(c4)OCO5)c3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496425
Phase Preclinical
Structure Type MOL
InChI Key DOLZXBXVHYTUAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
4.83
ALogP
6
HBA
1
HBD
56.3
PSA (Ų)
0.58
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 C19H13N3O2S
MW 347.40
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.26

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