Compound Detail
CHEMBL555621
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Basic Information
| ChEMBL ID | CHEMBL555621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUEJPEUIAUVTQD-BOXHHOBZSA-N |
| Parent Compound | CHEMBL1195939 |
| Active Moiety | CHEMBL1195939 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
3.94
ALogP
5
HBA
3
HBD
108.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.3
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| NIH3T3 CHEMBL614822 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 70.0 | nM | 7.16 | In vitro inhibition of farnesyltransferase from bovine brain | 9784104 |
| NIH3T3 | EC50 | = | 50000.0 | nM | 4.3 | Inhibition of Ha-Ras processing in NIH3T3 Ras transformed cells. | 9784104 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784104 | 10.1021/jm980298s | Protein farnesyltransferase | 1 |
| 9784104 | 10.1021/jm980298s | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine