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Compound Detail

CHEMBL353254

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CC(C)c1cccc(-c2[nH]c(-c3cccs3)nc2-c2ccc3c(c2)n(C)c(=O)n3C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL353254
Phase Preclinical
Structure Type MOL
InChI Key VLZWWLJWKCJAEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
5.79
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N4OS
MW 428.56
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
15012994 10.1016/j.bmcl.2003.12.023 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine