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Compound Detail

CHEMBL316268

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O=C1Nc2ccccc2/C1=C/c1cc(Br)cs1

Basic Information

ChEMBL ID CHEMBL316268
Phase Preclinical
Structure Type MOL
InChI Key ONXUHKXDKGXHFK-WDZFZDKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

306.2
MW (Da)
4.00
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.79
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 C13H8BrNOS
MW 306.18
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.02

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