Compound Detail
CHEMBL333589
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL333589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWHQLAPMFTYJKB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
509.9
MW (Da)
4.22
ALogP
4
HBA
1
HBD
69.3
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.34
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| NIH3T3 CHEMBL614822 | EC50 | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 18.0 | nM | 7.75 | Inhibition of purified recombinant human farnesyltransferase (FT) | 11020273 |
| NIH3T3 | EC50 | = | 460.0 | nM | 6.34 | 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 |
Data from ChEMBL 36 via Core Engine