Compound Detail
CHEMBL4445869
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Basic Information
| ChEMBL ID | CHEMBL4445869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWDNTXMTOGEZDL-UVTDQMKNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.00
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of Mycobacterium tuberculosis Zinc metalloprotease-1 using angiotensi... | 31703818 |
| Mycobacterium tuberculosis | IC50 | = | 55000.0 | nM | 4.26 | Antimycobacterial activity activity against Mycobacterium tuberculosis H37Rv aft... | 31703818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31703818 | 10.1016/j.ejmech.2019.111812 | Unchecked | 3 |
| 31703818 | 10.1016/j.ejmech.2019.111812 | Mycobacterium tuberculosis | 3 |
| 31703818 | 10.1016/j.ejmech.2019.111812 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine