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Compound Detail

CHEMBL1421377

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Clc1ccc(C2=CSC3=Nc4cccc5cccc(c45)N23)cc1

Basic Information

ChEMBL ID CHEMBL1421377
Phase Preclinical
Structure Type MOL
InChI Key QRFUTURFHZKKPS-UHFFFAOYSA-N
9
Targets
11
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.8
MW (Da)
6.05
ALogP
3
HBA
0
HBD
15.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H11ClN2S
MW 334.83
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.97

Activity Summary

IC50 8 meas. best 5.72
EC50 3 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sentrin-specific protease 6
CHEMBL1741215
IC50 5.72 5.72 1890.0 1
Sentrin-specific protease 8
CHEMBL1741207
IC50 5.69 5.69 2040.0 1
Streptococcus sp. 'group A'
CHEMBL612389
EC50 5.38 5.38 4169.0 1
Sentrin-specific protease 7
CHEMBL1741213
IC50 5.25 5.25 5650.0 1
Streptokinase A
CHEMBL1293228
EC50 5.13 5.13 7430.0 1
Caspase-3
CHEMBL2334
IC50 5.1 5.1 7930.0 1
Unchecked
CHEMBL612545
IC50 5.08 4.8767 8290.0 3
Streptococcus
CHEMBL612313
EC50 4.77 4.77 17119.0 1
Apoptotic protease-activating factor 1
CHEMBL1795093
IC50 4.75 4.75 17900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine