Compound Detail
CHEMBL4436172
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Basic Information
| ChEMBL ID | CHEMBL4436172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVBBGBMNUVATJW-YBEGLDIGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
3.11
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 |
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 |
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