Compound Detail
CHEMBL4164717
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Basic Information
| ChEMBL ID | CHEMBL4164717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXQFCNNWQAUOKA-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
5.32
ALogP
4
HBA
0
HBD
44.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chlamydia trachomatis CHEMBL614606 | IC50 | 5.87 | 5.68 | 1340.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chlamydia trachomatis | IC50 | = | 1340.0 | nM | 5.87 | Antichlamydial activity against Chlamydia trachomatis serovar A 454/Bu infected ... | 29232584 |
| Chlamydia trachomatis | IC50 | = | 1810.0 | nM | 5.74 | Antichlamydial activity against Chlamydia trachomatis serovar L2 infected in hum... | 29232584 |
| Chlamydia trachomatis | IC50 | = | 2190.0 | nM | 5.66 | Antichlamydial activity against Chlamydia trachomatis serovar D 454/Bu infected ... | 29232584 |
| Chlamydia trachomatis | IC50 | = | 2700.0 | nM | 5.57 | Antichlamydial activity against Chlamydia trachomatis serovar L2 454/Bu infected... | 29232584 |
| Chlamydia trachomatis | IC50 | = | 2728.98 | nM | 5.56 | 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 | Chlamydia trachomatis | 5 |
| 29232584 | 10.1016/j.ejmech.2017.11.099 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine