Compound Detail
CHEMBL4074384
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Basic Information
| ChEMBL ID | CHEMBL4074384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRKBRUWWAHXJCX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
5.88
ALogP
6
HBA
0
HBD
52.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chlamydia trachomatis CHEMBL614606 | EC50 | 7.75 | 7.59 | 18.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chlamydia trachomatis | EC50 | = | 18.0 | nM | 7.75 | Antimicrobial activity against Chlamydia trachomatis serovar LGV-L2 454/Bu infec... | 29053275 |
| Chlamydia trachomatis | EC50 | = | 37.0 | nM | 7.43 | Antimicrobial activity against Chlamydia trachomatis serovar D UW-3 infected in ... | 29053275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29053275 | 10.1021/acs.jmedchem.7b00716 | Chlamydia trachomatis | 6 |
| 29053275 | 10.1021/acs.jmedchem.7b00716 | Salmonella typhimurium | 4 |
| 29053275 | 10.1021/acs.jmedchem.7b00716 | Candida albicans | 1 |
| 29053275 | 10.1021/acs.jmedchem.7b00716 | Streptococcus agalactiae | 1 |
| 29053275 | 10.1021/acs.jmedchem.7b00716 | Lactobacillus jensenii | 1 |
| 29053275 | 10.1021/acs.jmedchem.7b00716 | Staphylococcus aureus | 1 |
| 29053275 | 10.1021/acs.jmedchem.7b00716 | Escherichia coli | 1 |
| 29053275 | 10.1021/acs.jmedchem.7b00716 | HeLa 229 | 1 |
Data from ChEMBL 36 via Core Engine