Compound Detail
CHEMBL5219900
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CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cnc(NCCCCCNC(=O)[C@H](N)CCC(N)=O)c4ccccc34)cc12
Basic Information
| ChEMBL ID | CHEMBL5219900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONZMDLHROVHQSG-HHHXNRCGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
664.9
MW (Da)
3.30
ALogP
11
HBA
5
HBD
183.2
PSA (Ų)
0.07
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Raji CHEMBL614628 | EC50 | 9.8 | 9.8 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Raji | EC50 | = | 0.16 | nM | 9.8 | Cytotoxicity against human Raji cells | 34517305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34517305 | 10.1016/j.ejmech.2021.113806 | Raji | 1 |
Data from ChEMBL 36 via Core Engine