Compound Detail
CHEMBL28367
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CC(C)C[C@H](NC(=O)c1ccc(CNCc2c[nH]cn2)cc1-c1cccc2ccccc12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL28367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQNDTMZXYCNVNE-SANMLTNESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
4.75
ALogP
4
HBA
4
HBD
107.1
PSA (Ų)
0.27
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Geranylgeranyl transferase type I | IC50 | = | 44.0 | nM | 7.36 | In vitro inhibition of [3H]GGPP incorporation into H-Ras-CVLL by Geranylgeranyl ... | 10212118 |
| Protein farnesyltransferase | IC50 | = | 10000.0 | nM | 5.0 | In vitro inhibition of [3H]FPP incorporation into H-Ras-CVLS by Farnesyl transfe... | 10212118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212118 | 10.1021/jm9900873 | Protein farnesyltransferase | 2 |
| 10212118 | 10.1021/jm9900873 | Geranylgeranyl transferase type I | 1 |
| 10212118 | 10.1021/jm9900873 | Unchecked | 1 |
| 10212118 | 10.1021/jm9900873 | Protein farnesyl/geranylgeranyl transferase | 1 |
Data from ChEMBL 36 via Core Engine