Compound Detail
CHEMBL194072
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Basic Information
| ChEMBL ID | CHEMBL194072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJDHSLHUXADWNR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.9
MW (Da)
4.96
ALogP
6
HBA
0
HBD
76.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of bovine farnesyltransferase | 15808463 |
| Geranylgeranyl transferase type I | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of bovine geranylgeranyl transferase | 15808463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15808463 | 10.1016/j.bmcl.2005.02.062 | Protein farnesyltransferase | 2 |
| 15808463 | 10.1016/j.bmcl.2005.02.062 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine