Compound Detail
CHEMBL331224
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Basic Information
| ChEMBL ID | CHEMBL331224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEYVAVWLDJJMQX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
5.01
ALogP
6
HBA
0
HBD
98.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1.3 | nM | 8.89 | In vitro inhibition of the human FTase-catalyzed incorporation of [3H]FPP into r... | 14552788 |
| Geranylgeranyl transferase type I | IC50 | = | 9000.0 | nM | 5.05 | In vitro inhibition of the human Geranylgeranyl transferase-catalyzed incorporat... | 14552788 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552788 | 10.1016/j.bmcl.2003.07.006 | Protein farnesyltransferase | 1 |
| 14552788 | 10.1016/j.bmcl.2003.07.006 | Geranylgeranyl transferase type I | 1 |
| 14552788 | 10.1016/j.bmcl.2003.07.006 | Protein farnesyl/geranylgeranyl transferase | 1 |
| 14552788 | 10.1016/j.bmcl.2003.07.006 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine