Compound Detail
CHEMBL5281752
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Basic Information
| ChEMBL ID | CHEMBL5281752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFYJMHRJESJTBE-CXUHLZMHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.84
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCD 19Lu CHEMBL614538 | IC50 | 4.21 | 4.21 | 61490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCD 19Lu | IC50 | = | 61490.0 | nM | 4.21 | Cytotoxicity against human CCD 19Lu cells assessed as inhibition of cell growth ... | 36270087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36270087 | 10.1016/j.ejmech.2022.114851 | A549 | 14 |
| 36270087 | 10.1016/j.ejmech.2022.114851 | PANC-1 | 12 |
| 36270087 | 10.1016/j.ejmech.2022.114851 | Unchecked | 3 |
| 36270087 | 10.1016/j.ejmech.2022.114851 | CCD 19Lu | 1 |
| 36270087 | 10.1016/j.ejmech.2022.114851 | Procathepsin L | 1 |
| 36270087 | 10.1016/j.ejmech.2022.114851 | Cathepsin D | 1 |
Data from ChEMBL 36 via Core Engine