Compound Detail
CHEMBL165159
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CSCC[C@H](NC(=O)c1ccc(NCc2cn(Cc3cccc4ccccc34)cn2)cc1-c1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL165159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLZPPNRFLQMJGP-HKBQPEDESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
564.7
MW (Da)
6.30
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.16
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of mammalian Farnesyltransferase | 11277514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277514 | 10.1016/s0960-894x(01)00055-5 | Plasmodium falciparum | 2 |
| 11277514 | 10.1016/s0960-894x(01)00055-5 | Protein farnesyltransferase | 2 |
Data from ChEMBL 36 via Core Engine