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Compound Detail

CHEMBL1475828

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COc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc32)cc1

Basic Information

ChEMBL ID CHEMBL1475828
Phase Preclinical
Structure Type MOL
InChI Key OPJAAOUABCWNKP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
5.62
ALogP
4
HBA
0
HBD
29.5
PSA (Ų)
0.55
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 C21H17NO2S2
MW 379.51
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.25

Activity Summary

EC50 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptokinase A
CHEMBL1293228
EC50 5.18 5.18 6537.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Streptokinase A EC50 = 6537.0 nM 5.18 PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response Follow up to Iden... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4513161 Pseudomonas aeruginosa 2
- 10.6019/CHEMBL4513161 Candida albicans 1
- 10.6019/CHEMBL4513161 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513161 Escherichia coli 1
- 10.6019/CHEMBL4513161 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513161 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513161 Staphylococcus aureus 1
- 10.6019/CHEMBL4513161 Erythrocyte 1
- 10.6019/CHEMBL4513161 HEK293 1

Data from ChEMBL 36 via Core Engine