Compound Detail
CHEMBL63804
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Basic Information
| ChEMBL ID | CHEMBL63804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQAJXBGZLZTIBS-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
445.9
MW (Da)
4.13
ALogP
3
HBA
0
HBD
60.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.28
Kd 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | Kd | 6.62 | 6.62 | 240.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.28 | 6.28 | 530.0 | 3 |
| COS-1 CHEMBL614563 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 11900.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 17939.23 | nM | Mus musculus |
| T1/2 | 1.267 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | Kd | = | 240.0 | nM | 6.62 | Dissociation constant of the Compound | 10377218 |
| Protein farnesyltransferase | IC50 | = | 530.0 | nM | 6.28 | Compound was tested for the inhibition of Farnesyltransferase | 9435898 |
| Protein farnesyltransferase | IC50 | = | 530.0 | nM | 6.28 | Inhibitory activity against recombinant human farnesyltransferase | 9406600 |
| Protein farnesyltransferase | IC50 | = | 530.0 | nM | 6.28 | Inhibition of Farnesyl protein transferase | 10377218 |
| COS-1 | IC50 | = | 1000.0 | nM | 6.0 | Compound was tested for the inhibition of COS cells in monkey. | 9435898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435898 | 10.1021/jm970464g | Mus musculus | 4 |
| 9435898 | 10.1021/jm970464g | Protein farnesyltransferase | 1 |
| 9435898 | 10.1021/jm970464g | COS-1 | 1 |
| 9406600 | 10.1021/jm970291v | Protein farnesyltransferase | 1 |
| 10377218 | 10.1021/jm990030g | Protein farnesyltransferase | 1 |
| 10377218 | 10.1021/jm990030g | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine