Compound Detail
CHEMBL129860
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Basic Information
| ChEMBL ID | CHEMBL129860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZGXVTAEJLFKLP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
3.32
ALogP
3
HBA
0
HBD
47.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 39000.0 | nM | 4.41 | In vitro cytotoxic activity against mouse leukemia (P388 ) cell line | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00106-4 | CHO | 2 |
| 16005211 | 10.1016/j.bmcl.2005.06.010 | Vero | 2 |
| - | 10.1016/0960-894X(95)00106-4 | P388 | 1 |
| - | 10.1016/0960-894X(95)00106-4 | HCT-116 | 1 |
| - | 10.1016/0960-894X(95)00106-4 | MCF7 | 1 |
| - | 10.1016/0960-894X(95)00106-4 | Bacillus subtilis | 1 |
| - | 10.1016/0960-894X(95)00106-4 | Escherichia coli | 1 |
| - | 10.1016/0960-894X(95)00106-4 | Pseudomonas aeruginosa | 1 |
| - | 10.1016/0960-894X(95)00106-4 | Candida albicans | 1 |
| - | 10.1016/0960-894X(95)00106-4 | Trichophyton benhamiae | 1 |
| - | 10.1016/0960-894X(95)00106-4 | Amorphotheca resinae | 1 |
| 1433213 | 10.1021/jm00100a012 | Candida albicans | 1 |
| 1433213 | 10.1021/jm00100a012 | Cryptococcus neoformans | 1 |
| 1433213 | 10.1021/jm00100a012 | Mycobacterium intracellulare | 1 |
| 16005211 | 10.1016/j.bmcl.2005.06.010 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine