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Compound Detail

CHEMBL75275

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O=C1Nc2ccccc2/C1=C/c1cc(Br)c(O)c(Br)c1

Basic Information

ChEMBL ID CHEMBL75275
Phase Preclinical
Structure Type MOL
InChI Key BBVGRROSWSHBNU-YHYXMXQVSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.1
MW (Da)
4.41
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.70
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 C15H9Br2NO2
MW 395.05
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.03

Activity Summary

IC50 2 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAF proto-oncogene serine/threonine-protein kinase
CHEMBL1906
IC50 5.89 5.89 1300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10698440 10.1016/s0960-894x(99)00668-x RAF proto-oncogene serine/threonine-protein kinase 1
18346893 10.1016/j.bmcl.2008.02.068 RAF proto-oncogene serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine