Compound Detail
CHEMBL320917
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Basic Information
| ChEMBL ID | CHEMBL320917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOFWCWCUKUVTKD-SNAWJCMRSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
2.01
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.6 | 5.6 | 2517.7 | 1 |
| K562 CHEMBL385 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 2517.68 | nM | 5.6 | Inhibitory concentration against peroxidation of rabbits red blood cell (RBC) me... | 15911266 |
| K562 | IC50 | = | 56000.0 | nM | 4.25 | In vitro cell growth inhibitory activity against K562 human chronic myelogenous ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911266 | 10.1016/j.bmcl.2005.03.087 | Oryctolagus cuniculus | 2 |
| 15043408 | 10.1021/np030281z | Unchecked | 2 |
| - | 10.1016/S0960-894X(97)10147-0 | K562 | 1 |
| 15043408 | 10.1021/np030281z | Agrobacterium tumefaciens | 1 |
Data from ChEMBL 36 via Core Engine