Compound Detail
CHEMBL29356
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CSCC[C@H](NC(=O)C1=C(c2ccccc2C)CN(C(=O)OC(CCC2CCCCC2)c2cncs2)CC1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL29356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJWFIOSIGHDXLF-QBHOUYDASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
599.8
MW (Da)
6.47
ALogP
7
HBA
2
HBD
108.8
PSA (Ų)
0.29
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.71 | nM | 9.15 | In vitro inhibitory activity against farnesyl transferase | 12657282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657282 | 10.1016/s0960-894x(03)00095-7 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine