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Compound Detail

CHEMBL87402

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O=C1Nc2ccccc2/C1=C/c1n[nH]cc1Cl

Basic Information

ChEMBL ID CHEMBL87402
Phase Preclinical
Structure Type MOL
InChI Key GWLUGYITWVGWFU-YVMONPNESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

245.7
MW (Da)
2.56
ALogP
2
HBA
2
HBD
57.8
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 C12H8ClN3O
MW 245.67
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 5.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 1
CHEMBL3516
IC50 5.13 5.13 7410.0 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