Compound Detail
CHEMBL383579
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COc1cccc(-n2c(=O)n(C)c3ccc(C(O)(c4ccc(C#N)cc4)c4cncn4C)cc32)c1
Basic Information
| ChEMBL ID | CHEMBL383579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZZIYZHDQXWUCK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.5
MW (Da)
3.23
ALogP
8
HBA
1
HBD
98.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.1 | nM | 8.29 | Inhibition of bovine farnesyl transferase | 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