Compound Detail
CHEMBL281695
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Basic Information
| ChEMBL ID | CHEMBL281695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAWVEDVPUJQLEN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.0
MW (Da)
5.23
ALogP
5
HBA
0
HBD
50.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 5.91 | 5.91 | 1230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Geranylgeranyl transferase type I | IC50 | = | 65.0 | nM | 7.19 | In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by... | 11378366 |
| Protein farnesyltransferase | IC50 | = | 1230.0 | nM | 5.91 | In vitro inhibition against human Farnesyltransferase catalyzed by incorporation... | 11378366 |
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 |
Data from ChEMBL 36 via Core Engine