Compound Detail
CHEMBL3115258
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CC(C)OC(=O)N1CCN([C@H]2c3ccc(Cl)cc3C([C@](C)(O)c3cncn3C)=Cc3cccnc32)CC1
Basic Information
| ChEMBL ID | CHEMBL3115258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYDYJITZGLMMFM-XCZPVHLTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.0
MW (Da)
4.48
ALogP
7
HBA
1
HBD
83.7
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| NIH-H CHEMBL615000 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.2 | nM | 9.7 | Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [... | 24462667 |
| NIH-H | IC50 | = | 2.0 | nM | 8.7 | Inhibition of inhibit anchorage-independent growth of human NIH-H cells in soft ... | 24462667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24462667 | 10.1016/j.bmcl.2013.12.046 | NIH-H | 1 |
| 24462667 | 10.1016/j.bmcl.2013.12.046 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine