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Compound Detail

CHEMBL356245

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COc1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)c(CCC(=O)O)c1C

Basic Information

ChEMBL ID CHEMBL356245
Phase Preclinical
Structure Type MOL
InChI Key IYOHDJYJJGGYFL-DHDCSXOGSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
3.15
ALogP
3
HBA
3
HBD
91.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N2O4
MW 340.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.03

Activity Summary

IC50 6 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 6.26 5.945 550.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.17 5.625 670.0 2
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.27 4.935 5400.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10602697 10.1021/jm9904295 Vascular endothelial growth factor receptor 2 2
10602697 10.1021/jm9904295 Fibroblast growth factor receptor 1 2
10602697 10.1021/jm9904295 Platelet-derived growth factor receptor beta 2
10602697 10.1021/jm9904295 Epidermal growth factor receptor 2

Data from ChEMBL 36 via Core Engine