Compound Detail
CHEMBL334694
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COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)CP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL334694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMPHQERBFUZNST-RYRVMRHHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
591.6
MW (Da)
3.13
ALogP
5
HBA
5
HBD
157.8
PSA (Ų)
0.12
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 700.0 | nM | 6.16 | 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