Compound Detail
CHEMBL5204078
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCn1cc(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)c(=O)c2cc(F)c(N3CCNCC3)cc21
Basic Information
| ChEMBL ID | CHEMBL5204078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPCWTNSAXQQELH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
3.21
ALogP
6
HBA
3
HBD
95.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 13200.0 | nM | 4.88 | Antiproliferative activity against human HeLa cells incubated for 24 hrs by CCK-... | 35561631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35561631 | 10.1016/j.bmc.2022.116803 | microRNA 21 | 1 |
| 35561631 | 10.1016/j.bmc.2022.116803 | HeLa | 1 |
| 35561631 | 10.1016/j.bmc.2022.116803 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine