Compound Detail
CHEMBL3793721
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Cc1ccc(NC(=O)C2CSc3c(C4CC4)c(Cc4cccc5ccccc45)c(N)c(=O)n32)cc1
Basic Information
| ChEMBL ID | CHEMBL3793721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OETOVNPOGFEQQF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
5.65
ALogP
5
HBA
2
HBD
77.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chlamydia trachomatis CHEMBL614606 | EC50 | 7.0 | 6.925 | 99.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chlamydia trachomatis | EC50 | = | 99.0 | nM | 7.0 | Antimicrobial activity against Chlamydia trachomatis serovar D infected in human... | 26849778 |
| Chlamydia trachomatis | EC50 | = | 140.0 | nM | 6.85 | Antimicrobial activity against Chlamydia trachomatis serovar LGV-L2 infected in ... | 26849778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26849778 | 10.1021/acs.jmedchem.5b01759 | Chlamydia trachomatis | 3 |
| 26849778 | 10.1021/acs.jmedchem.5b01759 | HeLa | 2 |
Data from ChEMBL 36 via Core Engine