Compound Detail
CHEMBL122882
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CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cnccn2)cc1-c1ccccc1C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL122882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNWGOHNVVKPNKS-NDEPHWFRSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
540.7
MW (Da)
5.59
ALogP
6
HBA
2
HBD
95.4
PSA (Ų)
0.24
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1800.0 | ng.hr.mL-1 | - |
| AUC | 900.0 | ng.hr.mL-1 | - |
| T1/2 | 0.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.8 | nM | 9.1 | In vitro inhibition of farnesyltransferase purified from bovine brain using scin... | 10479301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479301 | 10.1021/jm9901935 | ADMET | 2 |
| 10479301 | 10.1021/jm9901935 | Protein farnesyltransferase | 1 |
| 10479301 | 10.1021/jm9901935 | NIH3T3 | 1 |
| 10479301 | 10.1021/jm9901935 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine