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Compound Detail

CHEMBL91250

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COc1ccc2c(c1)NC(=O)/C2=C\c1cc2c([nH]1)CCCC2

Basic Information

ChEMBL ID CHEMBL91250
Phase Preclinical
Structure Type MOL
InChI Key FZYFCOVGBMTUON-DHDCSXOGSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
3.39
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O2
MW 294.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.44

Activity Summary

IC50 3 meas. best 5.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HUVEC
CHEMBL613979
IC50 5.97 5.97 1080.0 1
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 5.46 5.46 3460.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 4.92 4.92 12100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10893303 10.1021/jm9906116 HUVEC 4
10893303 10.1021/jm9906116 Vascular endothelial growth factor receptor 2 1
10893303 10.1021/jm9906116 Fibroblast growth factor receptor 1 1
10893303 10.1021/jm9906116 Platelet-derived growth factor receptor beta 1
10893303 10.1021/jm9906116 Proto-oncogene tyrosine-protein kinase Src 1
10893303 10.1021/jm9906116 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine