Compound Detail
CHEMBL331640
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Basic Information
| ChEMBL ID | CHEMBL331640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDIWKDRZXKMPAH-HSZRJFAPSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
3.45
ALogP
5
HBA
1
HBD
93.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.0
IC50 1 meas. best 8.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.75 | 8.75 | 1.8 | 1 |
| NIH3T3 CHEMBL614822 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1.77 | nM | 8.75 | Inhibition of purified recombinant human farnesyltransferase (FT) | 11020273 |
| NIH3T3 | EC50 | = | 10.0 | nM | 8.0 | Inhibition of anchorage independent growth of H-ras transformed NIH3T3 cells in ... | 11020273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11020273 | 10.1021/jm000248z | Protein farnesyltransferase | 2 |
| 11020273 | 10.1021/jm000248z | NIH3T3 | 1 |
| 11020273 | 10.1021/jm000248z | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine