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Compound Detail

CHEMBL1429365

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Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)C2c2cccc(Br)c2)o1

Basic Information

ChEMBL ID CHEMBL1429365
Phase Preclinical
Structure Type MOL
InChI Key LTBWQGPISGZOQU-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.3
MW (Da)
4.72
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16BrNO5
MW 442.27
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.53

Activity Summary

EC50 5 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptococcus sp. 'group A'
CHEMBL612389
EC50 5.21 5.21 6159.0 1
Streptokinase A
CHEMBL1293228
EC50 5.18 5.18 6668.0 1
Streptococcus
CHEMBL612313
EC50 4.95 4.95 11192.0 1
Unchecked
CHEMBL612545
EC50 4.74 4.74 18252.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.45 4.45 35576.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine