Compound Detail
CHEMBL5274875
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Basic Information
| ChEMBL ID | CHEMBL5274875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJLOAKMOTBZJJR-LFYBBSHMSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.28
ALogP
5
HBA
2
HBD
76.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| KB-V1 CHEMBL4296451 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| 518A2 CHEMBL4483222 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| PANC-1 CHEMBL614139 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 518A2 | IC50 | = | 300.0 | nM | 6.52 | Cytotoxicity against human 518A2 cells assessed as inhibition of cell growth by ... | 32791404 |
| HCT-116 | IC50 | = | 300.0 | nM | 6.52 | Cytotoxicity against human HCT-116 cells assessed as inhibition of cell growth b... | 32791404 |
| PANC-1 | IC50 | = | 300.0 | nM | 6.52 | Cytotoxicity against human PANC-1 cells assessed as inhibition of cell growth by... | 32791404 |
| HT-29 | IC50 | = | 300.0 | nM | 6.52 | Cytotoxicity against human HT-29 cells assessed as inhibition of cell growth by ... | 32791404 |
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Cytotoxicity against human MCF7/Topo cells assessed as inhibition of cell growth... | 32791404 |
| KB-V1 | IC50 | = | 300.0 | nM | 6.52 | Cytotoxicity against human vinblastine resistant KB-V1 cells assessed as inhibit... | 32791404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32791404 | 10.1016/j.ejmech.2020.112679 | 518A2 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | HCT-116 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | PANC-1 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | HT-29 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | Unchecked | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | KB-V1 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | Fibroblast | 1 |
Data from ChEMBL 36 via Core Engine