Compound Detail
CHEMBL3589999
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Basic Information
| ChEMBL ID | CHEMBL3589999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SISPSSONFJACCX-PLNGDYQASA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
298.8
MW (Da)
4.04
ALogP
1
HBA
1
HBD
32.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| M21 CHEMBL614117 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 25.0 | nM | 7.6 | Antiproliferative activity against human HT-29 cells assessed as cell growth inh... | 26069928 |
| M21 | IC50 | = | 27.0 | nM | 7.57 | Antiproliferative activity against human M21 cells assessed as cell growth inhib... | 26069928 |
| NON-PROTEIN TARGET | IC50 | = | 35.0 | nM | 7.46 | Antiproliferative activity against human HT1080 cells assessed as cell growth in... | 26069928 |
| MCF7 | IC50 | = | 38.0 | nM | 7.42 | Antiproliferative activity against human MCF7 cells assessed as cell growth inhi... | 26069928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26069928 | 10.1016/j.ejmech.2015.05.034 | M21 | 6 |
| 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 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine