Compound Detail
CHEMBL205972
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CC1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccc(S(C)(=O)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL205972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARZMSIQUIDXWHZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
4.21
ALogP
6
HBA
0
HBD
92.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1.1 | nM | 8.96 | Inhibition of farnesyl transferase | 16442288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16442288 | 10.1016/j.bmcl.2005.12.074 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine