Compound Detail
CHEMBL3133035
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
CCCCCCCCCCCCCCCCS(=O)(=O)N[C@H]1C[C@H]2C(=O)N(CCN)c3ccc(C(=O)OC(C)(C)C)cc3C(=O)N2C1
Basic Information
| ChEMBL ID | CHEMBL3133035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDVYHAJEIDSMPG-IZEXYCQBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
662.9
MW (Da)
5.93
ALogP
7
HBA
2
HBD
139.1
PSA (Ų)
0.13
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-protein thioesterase 1 CHEMBL1681631 | IC50 | 6.83 | 6.83 | 148.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-protein thioesterase 1 | IC50 | = | 148.0 | nM | 6.83 | Inhibition of APT1 (unknown origin) | 25558349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25558349 | 10.1039/c3md00333g | Acyl-protein thioesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine