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Compound Detail

CHEMBL1575634

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Cc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c1

Basic Information

ChEMBL ID CHEMBL1575634
Phase Preclinical
Structure Type MOL
InChI Key ONQJIKRHRHYBER-UHFFFAOYSA-N
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

347.8
MW (Da)
2.60
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.58
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 C16H14ClN3O2S
MW 347.83
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.21

Activity Summary

EC50 3 meas. best 6.73
IC50 2 meas. best 4.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptokinase A
CHEMBL1293228
EC50 6.73 6.73 187.0 1
Streptococcus sp. 'group A'
CHEMBL612389
EC50 6.44 6.44 362.0 1
Streptococcus
CHEMBL612313
EC50 5.96 5.96 1087.0 1
Unchecked
CHEMBL612545
IC50 4.66 4.66 21866.0 1
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 4.59 4.59 25843.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine