Compound Detail
CHEMBL5188458
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
Basic Information
| ChEMBL ID | CHEMBL5188458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCEDCHYJNNPGRC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
4.20
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Panel NCI-60 (60 carcinoma cell lines) CHEMBL614194 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Panel NCI-60 (60 carcinoma cell lines) | IC50 | = | 360.0 | nM | 6.44 | Cytotoxicity against human Panel NCI-60 (60 carcinoma cell lines) assessed as ce... | 33684825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33684825 | 10.1016/j.ejmech.2021.113321 | Panel NCI-60 (60 carcinoma cell lines) | 1 |
Data from ChEMBL 36 via Core Engine