Compound Detail
CHEMBL225758
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL225758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLRFXBXSJJUJNU-XKLVTHTNSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
0.06
ALogP
10
HBA
5
HBD
145.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 900.0 | nM | 6.05 | Antitumor activity against human CEM cells after 72 hrs by Calcein AM assay | 17418578 |
| NON-PROTEIN TARGET | IC50 | = | 6900.0 | nM | 5.16 | Antitumor activity against human MCF cells after 72 hrs by Calcein AM assay | 17418578 |
| HL-60 | IC50 | = | 15000.0 | nM | 4.82 | Antitumor activity against human HL60 cells after 72 hrs by Calcein AM assay | 17418578 |
| K562 | IC50 | = | 18000.0 | nM | 4.75 | Antitumor activity against human K562 cells after 72 hrs by Calcein AM assay | 17418578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17418578 | 10.1016/j.bmc.2007.03.038 | Amaranthus | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | Nicotiana tabacum | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | HOS | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | K562 | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | NON-PROTEIN TARGET | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | CCRF-CEM | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | HL-60 | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | G-361 | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | B16 | 1 |
| 17418578 | 10.1016/j.bmc.2007.03.038 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine