Compound Detail
CHEMBL4163605
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Basic Information
| ChEMBL ID | CHEMBL4163605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVXNTDYYVDHLOI-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
5.31
ALogP
3
HBA
0
HBD
35.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chlamydia trachomatis CHEMBL614606 | IC50 | 6.01 | 5.778 | 965.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chlamydia trachomatis | IC50 | = | 965.0 | nM | 6.01 | Antichlamydial activity against Chlamydia trachomatis serovar L2 infected in hum... | 29232584 |
| Chlamydia trachomatis | IC50 | = | 1600.0 | nM | 5.8 | Antichlamydial activity against Chlamydia trachomatis serovar A 454/Bu infected ... | 29232584 |
| Chlamydia trachomatis | IC50 | = | 2000.0 | nM | 5.7 | Antichlamydial activity against Chlamydia trachomatis serovar L2 454/Bu infected... | 29232584 |
| Chlamydia trachomatis | IC50 | = | 2041.74 | nM | 5.69 | Antichlamydial activity against Chlamydia trachomatis serovar L2 454/Bu infected... | 29232584 |
| Chlamydia trachomatis | IC50 | = | 2040.0 | nM | 5.69 | Antichlamydial activity against Chlamydia trachomatis serovar D 454/Bu infected ... | 29232584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29232584 | 10.1016/j.ejmech.2017.11.099 | Chlamydia trachomatis | 5 |
| 29232584 | 10.1016/j.ejmech.2017.11.099 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine