Compound Detail
CHEMBL22319
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Basic Information
| ChEMBL ID | CHEMBL22319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKUAWXYQQWMTHM-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
344.2
MW (Da)
4.90
ALogP
4
HBA
0
HBD
50.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of rate of incorporation of [3H]FPP into recombinant Ras-CVIM by huma... | 11392531 |
| Protein farnesyltransferase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of FPTase (unknown origin) | - |
| Protein farnesyltransferase | IC50 | = | 260.0 | nM | 6.58 | Displacement of radiolabeled FTI from Farnesyltransferase in cultured v-Ha-ras-t... | 11392531 |
| Geranylgeranyl transferase type I | IC50 | = | 280.0 | nM | 6.55 | Inhibition of rate of incorporation of [3H]GGPP into a biotinylated peptide corr... | 11392531 |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Inhibition of GGPTase-1 (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11392531 | 10.1016/s0960-894x(01)00162-7 | Protein farnesyltransferase | 2 |
| 11392531 | 10.1016/s0960-894x(01)00162-7 | Geranylgeranyl transferase type I | 1 |
| - | 10.1039/C2MD20199B | Protein farnesyltransferase | 1 |
| - | 10.1039/C2MD20199B | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine