Compound Detail
CHEMBL9652
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Basic Information
| ChEMBL ID | CHEMBL9652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJMWJDGKNKNYEW-WYMLVPIESA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.06
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 7.96 | 7.94 | 11.0 | 2 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Tubulin beta-1 chain CHEMBL1915 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 11.0 | nM | 7.96 | Compound was evaluated for cytotoxic activity against K562 human chronic myeloge... | 9871706 |
| Tubulin alpha chain | IC50 | = | 12.0 | nM | 7.92 | Tested for inhibition of polymerization of tubulin | 9871706 |
| K562 | IC50 | = | 12.0 | nM | 7.92 | Antiproliferative activity against human K562 cells after 5 days by MTT assay | 19837593 |
| Tubulin beta-1 chain | IC50 | = | 10000.0 | nM | 5.0 | Concentration required for 50% inhibition of tubulin polymerization | 15658859 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of tubulin assembly by Woods method | 19837593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2362275 | 10.1021/jm00169a021 | L1210 | 4 |
| 19837593 | 10.1016/j.bmc.2009.09.039 | K562 | 4 |
| 19837593 | 10.1016/j.bmc.2009.09.039 | Unchecked | 3 |
| 2362275 | 10.1021/jm00169a021 | HeLa | 2 |
| 2362275 | 10.1021/jm00169a021 | B16 | 2 |
| 28174064 | 10.1016/j.bmc.2017.01.035 | Unchecked | 2 |
| 9871706 | 10.1016/s0960-894x(98)00162-0 | K562 | 1 |
| 9871706 | 10.1016/s0960-894x(98)00162-0 | Tubulin alpha chain | 1 |
| 15658859 | 10.1021/jm049444m | Tubulin beta-1 chain | 1 |
| 27689728 | 10.1016/j.ejmech.2016.09.048 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine