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Compound Detail

CHEMBL483384

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Cc1cc(=O)n2c(n1)CN=C(c1ccccc1)c1cc(Cl)ccc1-2

Basic Information

ChEMBL ID CHEMBL483384
Phase Preclinical
Structure Type MOL
InChI Key OSFHYSTVWSHJSK-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.8
MW (Da)
3.55
ALogP
4
HBA
0
HBD
47.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14ClN3O
MW 335.79
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.72

Activity Summary

IC50 2 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.03 6.72 93.6 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18829330 10.1016/j.bmc.2008.09.037 Unchecked 3

Data from ChEMBL 36 via Core Engine