Compound Detail
CHEMBL4170050
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Basic Information
| ChEMBL ID | CHEMBL4170050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMKFQVZJOWHHDV-BPLLPPDFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.18
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chlamydia pneumoniae CHEMBL612694 | IC50 | 4.28 | 4.28 | 52600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chlamydia pneumoniae | IC50 | = | 52600.0 | nM | 4.28 | Antichlamydial activity against Chlamydia pneumoniae K7 infected in HL cells aft... | 29043803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29043803 | 10.1021/acs.jnatprod.6b01052 | Chlamydia pneumoniae | 2 |
| 29043803 | 10.1021/acs.jnatprod.6b01052 | HL | 1 |
Data from ChEMBL 36 via Core Engine