Compound Detail
CHEMBL3590004
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Basic Information
| ChEMBL ID | CHEMBL3590004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGQCLYJBZHNLFX-SNAWJCMRSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.41
ALogP
4
HBA
1
HBD
60.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| M21 CHEMBL614117 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 370.0 | nM | 6.43 | Antiproliferative activity against human HT-29 cells assessed as cell growth inh... | 26069928 |
| NON-PROTEIN TARGET | IC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human HT1080 cells assessed as cell growth in... | 26069928 |
| MCF7 | IC50 | = | 540.0 | nM | 6.27 | Antiproliferative activity against human MCF7 cells assessed as cell growth inhi... | 26069928 |
| M21 | IC50 | = | 550.0 | nM | 6.26 | Antiproliferative activity against human M21 cells assessed as cell growth inhib... | 26069928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26069928 | 10.1016/j.ejmech.2015.05.034 | Tubulin beta | 4 |
| 26069928 | 10.1016/j.ejmech.2015.05.034 | NON-PROTEIN TARGET | 1 |
| 26069928 | 10.1016/j.ejmech.2015.05.034 | MCF7 | 1 |
| 26069928 | 10.1016/j.ejmech.2015.05.034 | M21 | 1 |
| 26069928 | 10.1016/j.ejmech.2015.05.034 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine