Compound Detail
CHEMBL72918
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Basic Information
| ChEMBL ID | CHEMBL72918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAVAMUGNEBFMHD-VOTSOKGWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
192.2
MW (Da)
2.00
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.49 | 5.49 | 3250.9 | 1 |
| K562 CHEMBL385 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 3250.87 | nM | 5.49 | Inhibitory concentration against peroxidation of rabbits red blood cell (RBC) me... | 15911266 |
| K562 | IC50 | = | 9900.0 | nM | 5.0 | In vitro cell growth inhibitory activity against K562 human chronic myelogenous ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23245566 | 10.1021/np300465f | HT-29 | 3 |
| 15911266 | 10.1016/j.bmcl.2005.03.087 | Oryctolagus cuniculus | 2 |
| 17067159 | 10.1021/np060252z | KB | 2 |
| 12161116 | 10.1016/s0960-894x(02)00428-6 | Escherichia coli | 1 |
| - | 10.1016/S0960-894X(97)10147-0 | K562 | 1 |
| 17067159 | 10.1021/np060252z | A549 | 1 |
| 26796952 | 10.1016/j.bmc.2015.12.049 | Raji | 1 |
Data from ChEMBL 36 via Core Engine