Compound Detail
CHEMBL95848
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Cl.N[C@@H](CS)C(=O)Nc1ccc(NC(=O)Cc2ccc(Br)cc2)c(C(=O)c2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL95848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AANGKWDPFCJBFV-BDQAORGHSA-N |
| Parent Compound | CHEMBL1179714 |
| Active Moiety | CHEMBL1179714 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
512.4
MW (Da)
4.06
ALogP
5
HBA
4
HBD
101.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyltransferase CHEMBL2111393 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyltransferase | IC50 | = | 76.0 | nM | 7.12 | Inhibitory activity against farnesyltransferase. | 11520197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11520197 | 10.1021/jm010872r | Farnesyltransferase | 1 |
| 11520197 | 10.1021/jm010872r | HL-60 | 1 |
| 11520197 | 10.1021/jm010872r | THP-1 | 1 |
| 11520197 | 10.1021/jm010872r | K562 | 1 |
Data from ChEMBL 36 via Core Engine