Compound Detail
CHEMBL4785381
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Basic Information
| ChEMBL ID | CHEMBL4785381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXDDZSKCCIYQBK-KTKRTIGZSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
5.41
ALogP
4
HBA
0
HBD
27.7
PSA (Ų)
0.62
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.21
EC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RL CHEMBL2366175 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Tubulin CHEMBL2095182 | EC50 | 6.26 | 6.26 | 555.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RL | IC50 | = | 61.0 | nM | 7.21 | Antiproliferative activity against human RL cells assessed as reduction in cell ... | 33618157 |
| MIA PaCa-2 | IC50 | = | 120.0 | nM | 6.92 | Antiproliferative activity against human MIA PaCa-2 cells assessed as reduction ... | 33618157 |
| A2780 | IC50 | = | 360.0 | nM | 6.44 | Antiproliferative activity against human A2780 cells assessed as reduction in ce... | 33618157 |
| Tubulin | EC50 | = | 555.0 | nM | 6.26 | Inhibition of tubulin polymerization in human HeLa cells assessed as dynamic tyr... | 33618157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33618157 | 10.1016/j.ejmech.2021.113275 | Tubulin | 1 |
| 33618157 | 10.1016/j.ejmech.2021.113275 | MES-SA/Dx5 | 1 |
| 33618157 | 10.1016/j.ejmech.2021.113275 | RL | 1 |
| 33618157 | 10.1016/j.ejmech.2021.113275 | A2780 | 1 |
| 33618157 | 10.1016/j.ejmech.2021.113275 | MIA PaCa-2 | 1 |
Data from ChEMBL 36 via Core Engine