Compound Detail
CHEMBL1796675
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CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(C#N)cc1)C1CCN(Cc2cccc(Cl)c2)C1=O
Basic Information
| ChEMBL ID | CHEMBL1796675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDPDFNXDSFOTHH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
577.1
MW (Da)
4.97
ALogP
7
HBA
1
HBD
103.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.288 | nM | 8.89 | Inhibition of farnesyltransferase | 17448576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17448576 | 10.1016/j.ejmech.2007.02.003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine