Compound Detail
CHEMBL290760
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
CN1CCN(c2nc(COC(c3ccc(C#N)cc3)c3cncn3C)c(-c3cccc(Cl)c3)cc2C#N)CC1
Basic Information
| ChEMBL ID | CHEMBL290760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFYACKONMAAENB-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
538.1
MW (Da)
4.94
ALogP
8
HBA
0
HBD
94.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.24
EC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
| NIH3T3 CHEMBL614822 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Geranylgeranyl transferase type-1 subunit beta CHEMBL4135 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.57 | nM | 9.24 | Inhibition of transfer of [3H]FPP to biotin K-ras peptide (KKSKTKCVIM) catalyzed... | 12699757 |
| NIH3T3 | EC50 | = | 2.0 | nM | 8.7 | Concentration needed to reduce 50% of farnesylation in NIH3T3 H-ras cell line | 12699757 |
| Geranylgeranyl transferase type-1 subunit beta | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of transfer of [3H]FPP to biotin K-ras peptide (KKSKTKCVIM) catalyzed... | 12699757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12699757 | 10.1016/s0960-894x(03)00195-1 | Protein farnesyltransferase | 1 |
| 12699757 | 10.1016/s0960-894x(03)00195-1 | Geranylgeranyl transferase type-1 subunit beta | 1 |
| 12699757 | 10.1016/s0960-894x(03)00195-1 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine