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Compound Detail

CHEMBL1302315

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COc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5Cl)CC4)c23)cc1

Basic Information

ChEMBL ID CHEMBL1302315
Phase Preclinical
Structure Type MOL
InChI Key CQVBKWSQOMDHSP-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.0
MW (Da)
5.35
ALogP
6
HBA
0
HBD
41.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21ClN4OS
MW 436.97
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.73

Activity Summary

EC50 3 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptokinase A
CHEMBL1293228
EC50 5.43 5.305 3696.0 2
Streptococcus sp. 'group A'
CHEMBL612389
EC50 4.08 4.08 82618.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine