Compound Detail
CHEMBL431884
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Basic Information
| ChEMBL ID | CHEMBL431884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UECDXBYNFSLTKG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
463.0
MW (Da)
6.97
ALogP
4
HBA
0
HBD
44.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 9.35 | 9.35 | 0.5 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.45 | nM | 9.35 | In vitro inhibitory activity against farnesyltransferase (FTase) | 12657284 |
| Geranylgeranyl transferase type I | IC50 | = | 230.0 | nM | 6.64 | In vitro inhibition of geranylgeranyltransferase. | 12657284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine