Compound Detail
CHEMBL261566
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
CC(C)=CCc1[nH]c2cc(N=C=S)ccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O
Basic Information
| ChEMBL ID | CHEMBL261566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSTLTDSSPJRWNE-PMACEKPBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
3.44
ALogP
4
HBA
2
HBD
77.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 50000.0 | nM | 4.3 | Antiproliferative activity against mouse tsFT210 cells after 48 hrs by WST-8 ass... | 18321710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18321710 | 10.1016/j.bmc.2008.02.050 | Molecular identity unknown | 2 |
| 18321710 | 10.1016/j.bmc.2008.02.050 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine