Compound Detail
CHEMBL491395
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Basic Information
| ChEMBL ID | CHEMBL491395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFTHEPQQGPJZRQ-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
433.8
MW (Da)
3.88
ALogP
7
HBA
1
HBD
96.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| K562 CHEMBL385 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| FM3A CHEMBL614297 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 310.0 | nM | 6.51 | Antiproliferative activity against human Molt4/C8 cells after 2 days | 18755591 |
| K562 | IC50 | = | 400.0 | nM | 6.4 | Cytotoxicity against human K-562 after 24 hrs | 18755591 |
| CCRF-CEM | IC50 | = | 460.0 | nM | 6.34 | Antiproliferative activity against human CEM cells after 2 days | 18755591 |
| L1210 | IC50 | = | 1100.0 | nM | 5.96 | Antiproliferative activity against mouse L1210 cells after 2 days | 18755591 |
| FM3A | IC50 | = | 1100.0 | nM | 5.96 | Antiproliferative activity against mouse FM3A cells after 2 days | 18755591 |
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | 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