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Compound Detail

CHEMBL87324

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Cc1cc(C)c(/C=C2\C(=O)Nc3cc(F)ccc32)[nH]1

Basic Information

ChEMBL ID CHEMBL87324
Phase Preclinical
Structure Type MOL
InChI Key LIRKGVXMEOVEPG-GHXNOFRVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
3.26
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.76
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 C15H13FN2O
MW 256.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 4.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 4.74 4.74 18200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9651163 10.1021/jm980123i Platelet-derived growth factor receptor beta 1
9651163 10.1021/jm980123i Vascular endothelial growth factor receptor 1 1
9651163 10.1021/jm980123i Epidermal growth factor receptor 1
9651163 10.1021/jm980123i Receptor tyrosine-protein kinase erbB-2 1
9651163 10.1021/jm980123i Insulin-like growth factor 1 receptor 1

Data from ChEMBL 36 via Core Engine