Compound Detail
CHEMBL99867
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Cc1ccc(CC(=O)Nc2ccc(NC(=O)[C@@H](N)CS)cc2C(=O)c2ccccc2)cc1.Cl
Basic Information
| ChEMBL ID | CHEMBL99867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLGVELMPNXASBG-BOXHHOBZSA-N |
| Parent Compound | CHEMBL1179787 |
| Active Moiety | CHEMBL1179787 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
3.60
ALogP
5
HBA
4
HBD
101.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyltransferase CHEMBL2111393 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyltransferase | IC50 | = | 77.0 | nM | 7.11 | Inhibitory activity against farnesyltransferase. | 11520197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11520197 | 10.1021/jm010872r | Farnesyltransferase | 1 |
| 11520197 | 10.1021/jm010872r | K562 | 1 |
Data from ChEMBL 36 via Core Engine