Compound Detail
CHEMBL4550856
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Basic Information
| ChEMBL ID | CHEMBL4550856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQTSPPATKBXKRV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.7
MW (Da)
1.61
ALogP
4
HBA
0
HBD
51.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.57 | 4.82 | 2725.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2725.09 | nM | 5.57 | Phenotypic growth assay for Mycobacterium tuberculosis grown for 3 days on 7H9, ... | - |
| Unchecked | IC50 | = | 84576.68 | nM | 4.07 | Phenotypic growth assay for Mycobacterium tuberculosis grown for 4 days on DPPC,... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 5 |
| - | 10.6019/CHEMBL4513160 | Pseudomonas aeruginosa | 2 |
| - | 10.6019/CHEMBL4513160 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine