Compound Detail
CHEMBL596245
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Basic Information
| ChEMBL ID | CHEMBL596245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TTXNEDWTMSHCMC-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
4.40
ALogP
6
HBA
0
HBD
67.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| L1210 CHEMBL386 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| FM3A CHEMBL614297 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| HeLa CHEMBL399 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1.2 | nM | 8.92 | Cytotoxicity against human Molt4/C8 cells after 2 days | 19736015 |
| L1210 | IC50 | = | 2.0 | nM | 8.7 | Cytotoxicity against mouse L1210 cells after 2 days | 19736015 |
| FM3A | IC50 | = | 2.8 | nM | 8.55 | Cytotoxicity against mouse FM3A0 cells after 2 days | 19736015 |
| CCRF-CEM | IC50 | = | 2.8 | nM | 8.55 | Cytotoxicity against human CEM cells after 2 days | 19736015 |
| HeLa | IC50 | = | 6.3 | nM | 8.2 | Cytotoxicity against human HeLa cells after 2 days | 19736015 |
| Unchecked | IC50 | = | 430.0 | nM | 6.37 | Inhibition of bovine tubulin polymerization | 19736015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19736015 | 10.1016/j.bmc.2009.08.027 | K562 | 4 |
| 19736015 | 10.1016/j.bmc.2009.08.027 | Unchecked | 2 |
| 19736015 | 10.1016/j.bmc.2009.08.027 | L1210 | 1 |
| 19736015 | 10.1016/j.bmc.2009.08.027 | FM3A | 1 |
| 19736015 | 10.1016/j.bmc.2009.08.027 | NON-PROTEIN TARGET | 1 |
| 19736015 | 10.1016/j.bmc.2009.08.027 | CCRF-CEM | 1 |
| 19736015 | 10.1016/j.bmc.2009.08.027 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine