Compound Detail
CHEMBL445906
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 | CHEMBL445906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLQMHNNHORVRTR-IAGOWNOFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.3
MW (Da)
5.02
ALogP
5
HBA
0
HBD
39.9
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1300.0 | nM | 5.89 | Inhibitory activity against recombinant human farnesyltransferase | 9406600 |
| Geranylgeranyl transferase type I | IC50 | = | 3300.0 | nM | 5.48 | Inhibitory activity against Geranylgeranyl transferase type I | 9406600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9406600 | 10.1021/jm970291v | Protein farnesyltransferase | 2 |
| 9406600 | 10.1021/jm970291v | Geranylgeranyl transferase type I | 1 |
| 9406600 | 10.1021/jm970291v | Protein farnesyl/geranylgeranyl transferase | 1 |
Data from ChEMBL 36 via Core Engine