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Compound Detail

CHEMBL100955

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O=C1Nc2ccccc2/C1=C\c1cc(Br)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100955
Phase Preclinical
Structure Type MOL
InChI Key ONXUHKXDKGXHFK-IZZDOVSWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
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

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10956210 10.1021/jm990609e Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine