Compound Detail
CHEMBL158553
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL158553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGXWUSMPBUPQSB-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
4
PK Parameters
7
Publications
0
Known Names
Molecular Properties
438.9
MW (Da)
5.79
ALogP
5
HBA
0
HBD
74.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.06
EC50 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.06 | 9.06 | 0.9 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | EC50 | 8.28 | 8.28 | 5.2 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | EC50 | 8.28 | 8.28 | 5.2 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.06 | 6.06 | 871.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 9890.0 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 6.667 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 76.0 | % | Canis lupus familiaris |
| T1/2 | 4.7 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.87 | nM | 9.06 | Inhibition of [3H]FPP incorporation into biotin-linked K-ras decapeptide (CVIM) ... | 15324873 |
| Geranylgeranyl transferase type I | IC50 | = | 1.3 | nM | 8.89 | inhibitory concentration needed to to reduce the bovine GGTase-catalyzed incorpo... | 15324873 |
| Protein farnesyltransferase | EC50 | = | 5.2 | nM | 8.28 | Effective concentration required for inhibition of farnesylation of Ras protein ... | 14736242 |
| Protein farnesyltransferase | EC50 | = | 5.2 | nM | 8.28 | Reduced farnesylation of H-ras transformed NIH3T3 cells | 15324873 |
| Protein farnesyltransferase | IC50 | = | 870.96 | nM | 6.06 | Inhibition of FTase | 16455255 |
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 |
| 15324873 | 10.1016/j.bmcl.2004.07.004 | Unchecked | 1 |
| 15324873 | 10.1016/j.bmcl.2004.07.004 | Geranylgeranyl transferase type I | 1 |
| 15324873 | 10.1016/j.bmcl.2004.07.004 | Protein farnesyltransferase | 1 |
| 16455255 | 10.1016/j.bmcl.2006.01.019 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine