Compound Detail
CHEMBL3326000
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3326000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSTJYTCDOAZPQL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
3.98
ALogP
6
HBA
1
HBD
84.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 7.03 | 7.03 | 93.5 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.31 | 6.31 | 487.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.17 | 6.17 | 678.0 | 1 |
| Tubulin CHEMBL2095182 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 93.5 | nM | 7.03 | Antiproliferative activity against human KB cells | 25059503 |
| NON-PROTEIN TARGET | IC50 | = | 487.0 | nM | 6.31 | Antiproliferative activity against human MKN45 cells | 25059503 |
| HT-29 | IC50 | = | 678.0 | nM | 6.17 | Antiproliferative activity against human HT-29 cells | 25059503 |
| Tubulin | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of tubulin (unknown origin) polymerization by spectrophotometry | 25059503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25059503 | 10.1016/j.bmc.2014.06.042 | Tubulin | 3 |
| 25059503 | 10.1016/j.bmc.2014.06.042 | KB | 2 |
| 25059503 | 10.1016/j.bmc.2014.06.042 | HT-29 | 1 |
| 25059503 | 10.1016/j.bmc.2014.06.042 | NON-PROTEIN TARGET | 1 |
| 25059503 | 10.1016/j.bmc.2014.06.042 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine