Compound Detail
CHEMBL4456278
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Basic Information
| ChEMBL ID | CHEMBL4456278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKFQDXCRWFWSHR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
343.3
MW (Da)
4.36
ALogP
3
HBA
0
HBD
47.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.52 | 5.52 | 3050.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.49 | 5.49 | 3240.0 | 1 |
| Mycobacterium marinum CHEMBL614987 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Mycobacterium tuberculosis variant bovis BCG CHEMBL615052 | IC50 | 4.83 | 4.83 | 14950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 3050.0 | nM | 5.52 | Antimycobacterial activity against Mycobacterium tuberculosis H37Ra lux incubate... | 31376569 |
| Unchecked | IC50 | = | 3240.0 | nM | 5.49 | Antimycobacterial activity against Mycobacterium avium subsp. avium ATCC 25291 b... | 31376569 |
| Mycobacterium marinum | IC50 | = | 9000.0 | nM | 5.05 | Antimycobacterial activity against Mycobacterium marinum NCTC 2275 by resazurin ... | 31376569 |
| Mycobacterium tuberculosis variant bovis BCG | IC50 | = | 14950.0 | nM | 4.83 | Antimycobacterial activity against Mycobacterium bovis BCG ATCC 35737 by resazur... | 31376569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31376569 | 10.1016/j.ejmech.2019.07.052 | Unchecked | 8 |
| 31376569 | 10.1016/j.ejmech.2019.07.052 | Mycobacterium tuberculosis | 3 |
| 31376569 | 10.1016/j.ejmech.2019.07.052 | UDP-glucuronosyltransferases (UGTs) | 3 |
| 31376569 | 10.1016/j.ejmech.2019.07.052 | Cytochrome P450 | 3 |
| 31376569 | 10.1016/j.ejmech.2019.07.052 | Mycobacterium tuberculosis variant bovis BCG | 1 |
| 31376569 | 10.1016/j.ejmech.2019.07.052 | Mycobacterium marinum | 1 |
| 31376569 | 10.1016/j.ejmech.2019.07.052 | J774.A1 | 1 |
| 31376569 | 10.1016/j.ejmech.2019.07.052 | Streptococcus pneumoniae | 1 |
| 31376569 | 10.1016/j.ejmech.2019.07.052 | Escherichia coli | 1 |
| 31376569 | 10.1016/j.ejmech.2019.07.052 | Pseudomonas aeruginosa | 1 |
| 31376569 | 10.1016/j.ejmech.2019.07.052 | Klebsiella pneumoniae | 1 |
| 31376569 | 10.1016/j.ejmech.2019.07.052 | Enterococcus faecium | 1 |
| 31376569 | 10.1016/j.ejmech.2019.07.052 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine