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Compound Detail

CHEMBL149243

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

Basic Information

ChEMBL ID CHEMBL149243
Phase Preclinical
Structure Type MOL
InChI Key FTYXAWPLQFJPBB-ZSOIEALJSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
2.84
ALogP
3
HBA
3
HBD
91.4
PSA (Ų)
0.74
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 C18H18N2O4
MW 326.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.15

Activity Summary

IC50 6 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 6.85 6.35 140.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.92 5.895 1200.0 2
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.41 4.955 3890.0 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