Compound Detail
CHEMBL27843
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Basic Information
| ChEMBL ID | CHEMBL27843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQZCODLAPFPVNS-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
6.19
ALogP
5
HBA
0
HBD
68.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.41
EC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.41 | 9.41 | 0.4 | 1 |
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 9.41 | 9.41 | 0.4 | 1 |
| NIH3T3 CHEMBL614822 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 10.0 | % | Rattus norvegicus |
| T1/2 | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.39 | nM | 9.41 | In vitro inhibitory activity against farnesyltransferase (FTase) | 12657284 |
| Protein farnesyltransferase | IC50 | = | 0.39 | nM | 9.41 | Inhibition of human recombinant FTase using [3H]farnesyldiphosphate | 25530833 |
| NIH3T3 | EC50 | = | 50.0 | nM | 7.3 | Effective concentration against Ha-RAS processing in NIH3T3 ras-transformed cell... | 12657284 |
| Geranylgeranyl transferase type I | IC50 | = | 150.0 | nM | 6.82 | In vitro inhibition of geranylgeranyltransferase. | 12657284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657284 | 10.1016/s0960-894x(03)00096-9 | Rattus norvegicus | 2 |
| 12657284 | 10.1016/s0960-894x(03)00096-9 | Protein farnesyltransferase | 1 |
| 12657284 | 10.1016/s0960-894x(03)00096-9 | Geranylgeranyl transferase type I | 1 |
| 12657284 | 10.1016/s0960-894x(03)00096-9 | NIH3T3 | 1 |
| 25530833 | 10.1039/c2md20299a | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine