Compound Detail
CHEMBL194073
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Basic Information
| ChEMBL ID | CHEMBL194073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMRZSXNEOIVFAA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
6.63
ALogP
4
HBA
0
HBD
46.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.03
EC50 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 9.03 | 9.03 | 0.9 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | EC50 | 8.24 | 8.24 | 5.7 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.93 | nM | 9.03 | Inhibition of bovine farnesyltransferase | 15808463 |
| Protein farnesyltransferase | EC50 | = | 5.7 | nM | 8.24 | Inhibition of H-ras processing in transformed NIH3T3 cells | 15808463 |
| Geranylgeranyl transferase type I | IC50 | = | 270.0 | nM | 6.57 | 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