Compound Detail
CHEMBL4174933
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Basic Information
| ChEMBL ID | CHEMBL4174933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJWXIPYTKZEJQU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
6.05
ALogP
2
HBA
0
HBD
22.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chlamydia trachomatis CHEMBL614606 | IC50 | 5.06 | 5.06 | 8700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chlamydia trachomatis | IC50 | = | 8729.71 | nM | 5.06 | Antichlamydial activity against Chlamydia trachomatis serovar L2 454/Bu infected... | 29232584 |
| Chlamydia trachomatis | IC50 | = | 8700.0 | nM | 5.06 | Antichlamydial activity against Chlamydia trachomatis serovar L2 454/Bu infected... | 29232584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29232584 | 10.1016/j.ejmech.2017.11.099 | Unchecked | 2 |
| 29232584 | 10.1016/j.ejmech.2017.11.099 | Chlamydia trachomatis | 2 |
Data from ChEMBL 36 via Core Engine