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Compound Detail

CHEMBL1304666

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COc1ccc(Br)cc1/C=C/c1ccc2cccc(O)c2n1

Basic Information

ChEMBL ID CHEMBL1304666
Phase Preclinical
Structure Type MOL
InChI Key SUQHUXBRQGMWJT-RMKNXTFCSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.2
MW (Da)
4.88
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14BrNO2
MW 356.22
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.49

Activity Summary

EC50 4 meas. best 6.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptokinase A
CHEMBL1293228
EC50 6.86 6.86 138.0 1
Streptococcus sp. 'group A'
CHEMBL612389
EC50 6.61 6.61 246.0 1
Streptococcus
CHEMBL612313
EC50 5.19 5.19 6481.0 1
Unchecked
CHEMBL612545
EC50 4.87 4.87 13408.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine