Compound Detail
CHEMBL311310
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Basic Information
| ChEMBL ID | CHEMBL311310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIVUVRPLLRMTDC-UHFFFAOYSA-N |
1
Targets
7
Activities
1
Assay Types
5
PK Parameters
7
Publications
0
Known Names
Molecular Properties
432.9
MW (Da)
3.70
ALogP
4
HBA
0
HBD
49.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.85 | 6.5114 | 14.0 | 7 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1800.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 240.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 900.0 | nM | Mus musculus |
| F | 13.0 | % | Mus musculus |
| T1/2 | 0.2 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 14.0 | nM | 7.85 | Inhibitory activity against recombinant human farnesyltransferase | 9406600 |
| Protein farnesyltransferase | IC50 | = | 36.0 | nM | 7.44 | In vitro FPT potency by measuring the ability to inhibit the transfer of [3H]far... | 9873573 |
| Protein farnesyltransferase | IC50 | = | 160.0 | nM | 6.8 | In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene | 9526562 |
| Protein farnesyltransferase | IC50 | = | 360.0 | nM | 6.44 | Inhibitory activity against recombinant human farnesyltransferase | 9406600 |
| Protein farnesyltransferase | IC50 | = | 650.0 | nM | 6.19 | Inhibitory activity against recombinant human farnesyltransferase | 9406600 |
| Protein farnesyltransferase | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of Farnesyltransferase from Ras-CVLS or Ras-CVLL in Cos-7 monkey kidn... | 9526562 |
| Protein farnesyltransferase | IC50 | = | 3700.0 | nM | 5.43 | In vitro inhibition of Ras processing in COS cells | 9873573 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526562 | 10.1021/jm970462w | Mus musculus | 3 |
| 9406600 | 10.1021/jm970291v | Protein farnesyltransferase | 3 |
| 9526562 | 10.1021/jm970462w | Protein farnesyltransferase | 2 |
| 9526562 | 10.1021/jm970462w | ADMET | 2 |
| 9873573 | 10.1016/s0960-894x(98)00439-9 | Protein farnesyltransferase | 2 |
| 9526562 | 10.1021/jm970462w | geranylgeranyltransferase type-I | 1 |
| 9526562 | 10.1021/jm970462w | Cynomolgus monkey | 1 |
Data from ChEMBL 36 via Core Engine