Compound Detail
CHEMBL3741464
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 | CHEMBL3741464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTNAVATYWOEDMK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
5.14
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein disulfide-isomerase CHEMBL5422 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| CAAX prenyl protease 2 CHEMBL3411 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein disulfide-isomerase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of recombinant human wild-type N-terminal His-tagged PDIA1 expressed ... | 32830969 |
| CAAX prenyl protease 2 | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of human Rce1-mediated CaaX protease activity using ABZ-KSKTKC(farnes... | 26706114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26706114 | 10.1016/j.bmc.2015.11.043 | CAAX prenyl protease 2 | 5 |
| 26706114 | 10.1016/j.bmc.2015.11.043 | ADMET | 1 |
| 26706114 | 10.1016/j.bmc.2015.11.043 | CAAX prenyl protease 1 homolog | 1 |
| 26706114 | 10.1016/j.bmc.2015.11.043 | Protein farnesyltransferase | 1 |
| 32830969 | 10.1021/acs.jmedchem.0c00728 | Protein disulfide-isomerase | 1 |
| 32830969 | 10.1021/acs.jmedchem.0c00728 | U-87 MG | 1 |
Data from ChEMBL 36 via Core Engine