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Compound Detail

CHEMBL270415

BROMAMINIC ACID
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Nc1c(S(=O)(=O)[O-])cc(Br)c2c1C(=O)c1ccccc1C2=O.[Na+]

Basic Information

ChEMBL ID CHEMBL270415
Name BROMAMINIC ACID
Phase Preclinical
Structure Type MOL
InChI Key TXMRAEGWZZVGIH-UHFFFAOYSA-M
Parent Compound CHEMBL1206406
Active Moiety CHEMBL1206406
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

382.2
MW (Da)
2.05
ALogP
5
HBA
2
HBD
114.5
PSA (Ų)
0.49
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 C14H7BrNNaO5S
MW 404.17
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.05

Activity Summary

IC50 2 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-ketoglutarate-dependent dioxygenase FTO
CHEMBL2331065
IC50 4.96 4.565 11000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18006312 10.1016/j.bmcl.2007.10.082 P2Y purinoceptor 2 2
23547775 10.1021/jm400193d Alpha-ketoglutarate-dependent dioxygenase FTO 1
34792334 10.1021/acs.jmedchem.1c01694 Alpha-ketoglutarate-dependent dioxygenase FTO 1

Data from ChEMBL 36 via Core Engine