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Compound Detail

CHEMBL3237348

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COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(F)cc3)c2c1

Basic Information

ChEMBL ID CHEMBL3237348
Phase Preclinical
Structure Type MOL
InChI Key FIZKGNXRTCHNJT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.8
MW (Da)
5.93
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14ClFN2O
MW 352.80
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.24

Activity Summary

EC50 2 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-22
CHEMBL614316
EC50 6.07 5.42 850.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24602904 10.1016/j.bmcl.2014.02.006 HT-22 2
24602904 10.1016/j.bmcl.2014.02.006 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine