Compound Detail
CHEMBL407455
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CC(C)C(CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL407455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDGCYUAQJAPPNE-ILKYDAHOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
690.7
MW (Da)
4.82
ALogP
6
HBA
6
HBD
186.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity against recombinant human farnesyltransferase | 9406600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9406600 | 10.1021/jm970291v | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine