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Compound Detail

CHEMBL1568619

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O=Cc1cccc(Br)c1

Basic Information

ChEMBL ID CHEMBL1568619
Phase Preclinical
Structure Type MOL
InChI Key SUISZCALMBHJQX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

185.0
MW (Da)
2.26
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.61
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 C7H5BrO
MW 185.02
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 4.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
B16-F10
CHEMBL612656
IC50 4.15 4.15 70740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
B16-F10 IC50 = 70740.0 nM 4.15 Cytotoxicity against mouse B16F10 cells assessed as reduction in cell viability 30594028

Literature References

PubMed DOI Target Context # Activities
30594028 10.1016/j.ejmech.2018.11.026 B16-F10 1

Data from ChEMBL 36 via Core Engine