Compound Detail
CHEMBL157782
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Basic Information
| ChEMBL ID | CHEMBL157782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCUVPCKCJFTDON-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
6.04
ALogP
6
HBA
0
HBD
83.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | EC50 | 8.29 | 8.29 | 5.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1530.0 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 7.333 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 66.0 | % | Canis lupus familiaris |
| T1/2 | 6.7 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | EC50 | = | 5.1 | nM | 8.29 | Effective concentration required for inhibition of farnesylation of Ras protein ... | 14736242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14736242 | 10.1021/jm030434f | Canis familiaris | 4 |
| 14736242 | 10.1021/jm030434f | Protein farnesyltransferase | 2 |
| 14736242 | 10.1021/jm030434f | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine