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Compound Detail

CHEMBL101457

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COc1ccc(C2=C(C(N)=O)C(=O)c3ccccc32)cc1

Basic Information

ChEMBL ID CHEMBL101457
Phase Preclinical
Structure Type MOL
InChI Key IMLUVBRWDDJIOV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
2.18
ALogP
3
HBA
1
HBD
69.4
PSA (Ų)
0.88
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 C17H13NO3
MW 279.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.08

Activity Summary

IC50 2 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 5.4 5.4 4000.0 1
Fibroblast growth factor receptor
CHEMBL2095217
IC50 4.97 4.97 10600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10110-X Fibroblast growth factor receptor 1
- 10.1016/S0960-894X(97)10110-X Platelet-derived growth factor receptor 1
- 10.1016/S0960-894X(97)10110-X Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine