Compound Detail
CHEMBL324397
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Basic Information
| ChEMBL ID | CHEMBL324397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGUJVVZQAAFALH-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
1.95
ALogP
9
HBA
1
HBD
106.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Colon 26 CHEMBL614466 | IC50 | 8.14 | 8.14 | 7.2 | 3 |
| Tubulin CHEMBL2094134 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 2000.0 | 2 |
| A549 CHEMBL392 | IC50 | 5.58 | 5.58 | 2630.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.5 | 5.5 | 3170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Colon 26 | IC50 | = | 7.2 | nM | 8.14 | In vitro cytotoxicity against colon 26 adenocarcinoma cell line was evaluated. | 9873694 |
| Colon 26 | IC50 | = | 7.2 | nM | 8.14 | Cytotoxicity against mouse Colon 26 cells | 22136312 |
| Colon 26 | IC50 | = | 7.2 | nM | 8.14 | Cytotoxicity against mouse Colon 26 cells | 24900453 |
| Tubulin | IC50 | = | 2000.0 | nM | 5.7 | Tubulin polymerization inhibitory activity using bovine brain tubulin | 9873694 |
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of tubulin polymerization | 22136312 |
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of tubulin polymerization | 24900453 |
| A549 | IC50 | = | 2630.0 | nM | 5.58 | Cytotoxicity against human A549 cells after 48 hrs by MTT assay | - |
| MDA-MB-231 | IC50 | = | 3170.0 | nM | 5.5 | Cytotoxicity against human MDA-MB-231 cells after 48 hrs by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20085F | A549 | 5 |
| 9873694 | 10.1016/s0960-894x(98)00579-4 | Colon 26 | 2 |
| 9873694 | 10.1016/s0960-894x(98)00579-4 | Tubulin | 1 |
| 22136312 | 10.1021/jm2013979 | Unchecked | 1 |
| 22136312 | 10.1021/jm2013979 | Colon 26 | 1 |
| 24900453 | 10.1021/ml200149g | Colon 26 | 1 |
| 24900453 | 10.1021/ml200149g | Unchecked | 1 |
| - | 10.1039/C2MD20085F | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine