Compound Detail
CHEMBL194925
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Basic Information
| ChEMBL ID | CHEMBL194925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLLPNEJVBYJALY-NVNXTCNLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
3.87
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Tubulin beta-1 chain CHEMBL1915 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 360.0 | nM | 6.44 | Antiproliferative activity against human K562 cells after 5 days by MTT assay | 19837593 |
| Tubulin beta-1 chain | IC50 | = | 1700.0 | nM | 5.77 | Concentration required for 50% inhibition of tubulin polymerization | 15658859 |
| Unchecked | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of tubulin assembly by Woods method | 19837593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19837593 | 10.1016/j.bmc.2009.09.039 | K562 | 4 |
| 19837593 | 10.1016/j.bmc.2009.09.039 | Unchecked | 2 |
| 15658859 | 10.1021/jm049444m | Tubulin beta-1 chain | 1 |
| 19837593 | 10.1016/j.bmc.2009.09.039 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine