Compound Detail
CHEMBL31610
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Basic Information
| ChEMBL ID | CHEMBL31610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBYRYAHMXSFRDA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
506.5
MW (Da)
5.59
ALogP
5
HBA
0
HBD
50.6
PSA (Ų)
0.33
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 5.24 | 5.24 | 5770.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Geranylgeranyl transferase type I | IC50 | = | 155.0 | nM | 6.81 | In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by... | 11378366 |
| Protein farnesyltransferase | IC50 | = | 5770.0 | nM | 5.24 | In vitro inhibition against human Farnesyltransferase catalyzed by incorporation... | 11378366 |
| Unchecked | IC50 | = | 5800.0 | nM | 5.24 | Inhibition of FTase | 17049856 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11378366 | 10.1016/s0960-894x(01)00240-2 | Protein farnesyltransferase | 1 |
| 11378366 | 10.1016/s0960-894x(01)00240-2 | Geranylgeranyl transferase type I | 1 |
| 17049856 | 10.1016/j.bmcl.2006.09.055 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine