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Compound Detail

CHEMBL2386734

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O=c1[nH]c2ccc(Br)cc2cc1O

Basic Information

ChEMBL ID CHEMBL2386734
Phase Preclinical
Structure Type MOL
InChI Key MTGIZESTAZZBMV-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

240.1
MW (Da)
2.00
ALogP
2
HBA
2
HBD
53.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H6BrNO2
MW 240.06
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.51

Activity Summary

IC50 3 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mushroom tyrosinase
CHEMBL6066154
IC50 5.6 5.6 2520.0 1
Unchecked
CHEMBL612545
IC50 5.13 5.13 7400.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24936242 10.1021/ml4001112 HEK293 1
24936242 10.1021/ml4001112 MDCK 1
24936242 10.1021/ml4001112 Unchecked 1
38823727 10.1016/j.bmcl.2024.129823 Mushroom tyrosinase 1

Data from ChEMBL 36 via Core Engine