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Compound Detail

CHEMBL470521

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Cc1ccc(S(=O)(=O)Nc2ccn(C)c(=O)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470521
Phase Preclinical
Structure Type MOL
InChI Key MEBQEYDEHCUSOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
0.89
ALogP
5
HBA
1
HBD
81.1
PSA (Ų)
0.90
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 C12H13N3O3S
MW 279.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
18640746 10.1016/j.ejmech.2008.06.002 HeLa 1
18640746 10.1016/j.ejmech.2008.06.002 MIA PaCa-2 1
18640746 10.1016/j.ejmech.2008.06.002 SW-620 1
18640746 10.1016/j.ejmech.2008.06.002 MCF7 1
18640746 10.1016/j.ejmech.2008.06.002 NCI-H460 1

Data from ChEMBL 36 via Core Engine