Compound Detail
CHEMBL145699
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CCS(=O)(=O)C[C@H](CC1CCCCC1)NCc1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)c(-c2ccccc2C)c1
Basic Information
| ChEMBL ID | CHEMBL145699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASWWGQSASVXGDY-SVEHJYQDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
620.8
MW (Da)
4.14
ALogP
7
HBA
3
HBD
146.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1.2 | nM | 8.92 | In vitro inhibitory activity against Farnesyltransferase (FTase) | 10579847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579847 | 10.1021/jm990335v | Protein farnesyltransferase | 1 |
| 10579847 | 10.1021/jm990335v | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine