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Compound Detail

CHEMBL316508

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NC(=O)C1=C2CCCc3cccc(c32)C1=O

Basic Information

ChEMBL ID CHEMBL316508
Phase Preclinical
Structure Type MOL
InChI Key SFRLORUXHRMRMQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

213.2
MW (Da)
1.46
ALogP
2
HBA
1
HBD
60.2
PSA (Ų)
0.72
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 C13H11NO2
MW 213.24
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.55

Activity Summary

IC50 1 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor
CHEMBL2095217
IC50 5.38 5.38 4200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor IC50 = 4200.0 nM 5.38 Inhibitory activity against fibroblast growth factor receptor (FGFr) -

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
21126022 10.1021/jm1010572 Pteridine reductase 1 1

Data from ChEMBL 36 via Core Engine