Compound Detail
CHEMBL5199235
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Basic Information
| ChEMBL ID | CHEMBL5199235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMAQBSAFSNDPDE-UOHONPKESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
2.68
ALogP
4
HBA
2
HBD
64.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.23
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 58640.0 | nM | 4.23 | Cytotoxicity against human MCF7 cells assessed as cell growth inhibition by MTT ... | 34161865 |
| LNCaP | IC50 | = | 68920.0 | nM | 4.16 | Cytotoxicity against human LNCaP cells assessed as cell growth inhibition by MTT... | 34161865 |
| Unchecked | IC50 | = | 73000.0 | nM | 4.14 | Inhibition of starfish oocyte CDK1/Cyclin B using histone H1 as substrate incuba... | 34161865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34161865 | 10.1016/j.ejmech.2021.113652 | Unchecked | 1 |
| 34161865 | 10.1016/j.ejmech.2021.113652 | MCF7 | 1 |
| 34161865 | 10.1016/j.ejmech.2021.113652 | LoVo | 1 |
| 34161865 | 10.1016/j.ejmech.2021.113652 | LNCaP | 1 |
| 34161865 | 10.1016/j.ejmech.2021.113652 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 34161865 | 10.1016/j.ejmech.2021.113652 | Glycogen synthase kinase-3 | 1 |
Data from ChEMBL 36 via Core Engine