Compound Detail
CHEMBL523080
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Basic Information
| ChEMBL ID | CHEMBL523080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBZQXEMPWMGPEK-QHCPKHFHSA-N |
4
Targets
4
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
3.53
ALogP
6
HBA
1
HBD
100.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 7.03 | 7.03 | 94.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.5 | mL.min-1.kg-1 | Canis lupus familiaris |
| T1/2 | 1.7 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 2.1 | nM | 8.68 | Inhibition of human farnesyltransferase in PSN-1 cells. | 12036349 |
| Protein farnesyltransferase | IC50 | = | 6.8 | nM | 8.17 | Inhibition of Farnesyltransferase in cells, evaluated in a radiotracer assay for... | 12036349 |
| Geranylgeranyl transferase type I | IC50 | = | 94.0 | nM | 7.03 | Inhibitory activity against geranylgeranyl transferase | 12036349 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human ERG channel | 19534531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036349 | 10.1021/jm010531d | Canis familiaris | 3 |
| 12036349 | 10.1021/jm010531d | Protein farnesyltransferase | 2 |
| 12036349 | 10.1021/jm010531d | Cytochrome P450 3A4 | 2 |
| 12036349 | 10.1021/jm010531d | Geranylgeranyl transferase type I | 1 |
| 12036349 | 10.1021/jm010531d | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19534531 | 10.1021/jm900002x | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine