Compound Detail
CHEMBL53732
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Basic Information
| ChEMBL ID | CHEMBL53732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJBBINSSZZHBDZ-OAHLLOKOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.81
ALogP
5
HBA
3
HBD
64.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.04 | 6.035 | 917.0 | 2 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 917.0 | nM | 6.04 | In vitro inhibition of Farnesyltransferase | 8568811 |
| Protein farnesyltransferase | IC50 | = | 930.0 | nM | 6.03 | Inhibition of farnesyltransferase from human Burkitt lymphoma (Daudi) cells | 11754590 |
| Geranylgeranyl transferase type I | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of partially purified Geranylgeranyl transferase type I (GGTase-I) fr... | 11754590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568811 | 10.1021/jm950414g | Protein farnesyltransferase | 1 |
| 8568811 | 10.1021/jm950414g | Geranylgeranyl transferase type I | 1 |
| 11754590 | 10.1021/jm0103099 | Protein farnesyltransferase | 1 |
| 11754590 | 10.1021/jm0103099 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine