Compound Detail
CHEMBL522029
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Basic Information
| ChEMBL ID | CHEMBL522029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTKICTRTFYUCCG-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
4.69
ALogP
7
HBA
0
HBD
63.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLT-4 CHEMBL614177 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| L1210 CHEMBL386 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| FM3A CHEMBL614297 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLT-4 | IC50 | = | 380.0 | nM | 6.42 | Antiproliferative activity against human MOLT4 cells after 2 days | 18440234 |
| HeLa | IC50 | = | 500.0 | nM | 6.3 | Antiproliferative activity against human HeLa cells after 2 days | 18440234 |
| L1210 | IC50 | = | 520.0 | nM | 6.28 | Antiproliferative activity against mouse L1210 cells after 2 days | 18440234 |
| CCRF-CEM | IC50 | = | 540.0 | nM | 6.27 | Antiproliferative activity against human CEM cells after 2 days | 18440234 |
| FM3A | IC50 | = | 960.0 | nM | 6.02 | Antiproliferative activity against mouse FM3A cells after 2 days | 18440234 |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of bovine brain tubulin polymerization for 20 mins | 18440234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18440234 | 10.1016/j.bmc.2008.04.026 | K562 | 3 |
| 18440234 | 10.1016/j.bmc.2008.04.026 | Unchecked | 2 |
| 18440234 | 10.1016/j.bmc.2008.04.026 | L1210 | 1 |
| 18440234 | 10.1016/j.bmc.2008.04.026 | FM3A | 1 |
| 18440234 | 10.1016/j.bmc.2008.04.026 | MOLT-4 | 1 |
| 18440234 | 10.1016/j.bmc.2008.04.026 | CCRF-CEM | 1 |
| 18440234 | 10.1016/j.bmc.2008.04.026 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine