Compound Detail
CHEMBL489153
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Basic Information
| ChEMBL ID | CHEMBL489153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVNSDEJJLKIFRR-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
3.66
ALogP
7
HBA
1
HBD
96.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| K562 CHEMBL385 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| L1210 CHEMBL386 | IC50 | 7.03 | 7.03 | 94.0 | 1 |
| FM3A CHEMBL614297 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 62.0 | nM | 7.21 | Antiproliferative activity against human Molt4/C8 cells after 2 days | 18755591 |
| CCRF-CEM | IC50 | = | 78.0 | nM | 7.11 | Antiproliferative activity against human CEM cells after 2 days | 18755591 |
| K562 | IC50 | = | 85.0 | nM | 7.07 | Cytotoxicity against human K-562 after 24 hrs | 18755591 |
| L1210 | IC50 | = | 94.0 | nM | 7.03 | Antiproliferative activity against mouse L1210 cells after 2 days | 18755591 |
| FM3A | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against mouse FM3A cells after 2 days | 18755591 |
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of bovine brain tubulin polymerization for 20 mins by turbidimetry | 18755591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18755591 | 10.1016/j.bmc.2008.08.029 | K562 | 5 |
| 18755591 | 10.1016/j.bmc.2008.08.029 | Unchecked | 2 |
| 18755591 | 10.1016/j.bmc.2008.08.029 | L1210 | 1 |
| 18755591 | 10.1016/j.bmc.2008.08.029 | FM3A | 1 |
| 18755591 | 10.1016/j.bmc.2008.08.029 | NON-PROTEIN TARGET | 1 |
| 18755591 | 10.1016/j.bmc.2008.08.029 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine