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Compound Detail

CHEMBL1464656

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Cc1ccc(/C=C2/Sc3ccc(C(=O)N4CCC5(CC4)OCCO5)cc3NC2=O)cc1

Basic Information

ChEMBL ID CHEMBL1464656
Phase Preclinical
Structure Type MOL
InChI Key CDAKNNRYMHRZQR-KGENOOAVSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
4.06
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N2O4S
MW 436.53
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.49

Activity Summary

EC50 5 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-binding protein pos-1
CHEMBL1293304
EC50 5.36 5.36 4365.0 1
Streptokinase A
CHEMBL1293228
EC50 5.23 5.23 5881.0 1
Streptococcus sp. 'group A'
CHEMBL612389
EC50 5.12 5.12 7596.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.09 5.09 8061.0 1
Streptococcus
CHEMBL612313
EC50 5.02 5.02 9494.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine