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Compound Detail

CHEMBL1241899

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COc1cc(-c2ccc(COC(=O)c3cccs3)cc2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1241899
Phase Preclinical
Structure Type MOL
InChI Key SEEPDSISOPKYHE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
5.33
ALogP
5
HBA
0
HBD
48.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17NO3S
MW 375.45
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
20554355 10.1016/j.ejmech.2010.05.043 HUVEC 6
20554355 10.1016/j.ejmech.2010.05.043 NON-PROTEIN TARGET 1
20554355 10.1016/j.ejmech.2010.05.043 NCI-H460 1

Data from ChEMBL 36 via Core Engine