Compound Detail
CHEMBL383797
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
CCOc1cccc(-n2c(=O)n(C)c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc32)c1
Basic Information
| ChEMBL ID | CHEMBL383797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNOCAMVNXBLKEZ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
489.0
MW (Da)
4.40
ALogP
7
HBA
1
HBD
74.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.18
EC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.18 | 8.18 | 6.6 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.6 | nM | 8.18 | Inhibition of bovine farnesyl transferase | 15911281 |
| Protein farnesyltransferase | EC50 | = | 22.0 | nM | 7.66 | Inhibition of Ras processing in H-ras transformed NIH3T3 cells | 15911281 |
| Geranylgeranyl transferase type I | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of bovine geranylgeranyl transferase type I | 15911281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911281 | 10.1016/j.bmcl.2005.03.049 | Unchecked | 1 |
| 15911281 | 10.1016/j.bmcl.2005.03.049 | Geranylgeranyl transferase type I | 1 |
| 15911281 | 10.1016/j.bmcl.2005.03.049 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine