Compound Detail
CHEMBL282499
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Basic Information
| ChEMBL ID | CHEMBL282499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMNYYAJYASNHCC-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
4.89
ALogP
5
HBA
0
HBD
71.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.54 | 8.5333 | 2.9 | 3 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 8.15 | 8.145 | 7.1 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 2.9 | nM | 8.54 | Inhibition of rate of incorporation of [3H]FPP into recombinant Ras-CVIM by huma... | 11392531 |
| Protein farnesyltransferase | IC50 | = | 2.9 | nM | 8.54 | Inhibition of FPTase (unknown origin) | - |
| Protein farnesyltransferase | IC50 | = | 3.0 | nM | 8.52 | Concentration required to inhibit recombinant human farnesyltransferase (FTase) ... | 12825937 |
| Protein farnesyltransferase | IC50 | = | 4.9 | nM | 8.31 | Displacement of radiolabeled FTI from Farnesyltransferase in cultured v-Ha-ras-t... | 11392531 |
| Geranylgeranyl transferase type I | IC50 | = | 7.1 | nM | 8.15 | Inhibition of rate of incorporation of [3H]GGPP into a biotinylated peptide corr... | 11392531 |
| Unchecked | IC50 | = | 7.1 | nM | 8.15 | Inhibition of GGPTase-1 (unknown origin) | - |
| Geranylgeranyl transferase type I | IC50 | = | 7.2 | nM | 8.14 | Concentration required to inhibit recombinant human geranylgeranyl transferase t... | 12825937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11392531 | 10.1016/s0960-894x(01)00162-7 | Protein farnesyltransferase | 2 |
| 12825937 | 10.1021/jm020587n | Protein farnesyltransferase | 1 |
| 12825937 | 10.1021/jm020587n | Geranylgeranyl transferase type I | 1 |
| 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