Compound Detail
CHEMBL417600
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Basic Information
| ChEMBL ID | CHEMBL417600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVHAKJDMTSSDKK-CQSZACIVSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.72
ALogP
4
HBA
4
HBD
75.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.94 | 6.88 | 114.0 | 2 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 4.05 | 4.0167 | 90000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 50.0 | nM | 7.3 | Activity against rat brain Farnesyltransferase | 9301658 |
| Protein farnesyltransferase | IC50 | = | 114.0 | nM | 6.94 | In vitro inhibition of Farnesyltransferase | 8568811 |
| Protein farnesyltransferase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of farnesyltransferase from human Burkitt lymphoma (Daudi) cells | 11754590 |
| Geranylgeranyl transferase type I | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of partially purified Geranylgeranyl transferase type I (GGTase-I) fr... | 11754590 |
| Geranylgeranyl transferase type I | IC50 | = | 100000.0 | nM | 4.0 | In vitro inhibition of Geranylgeranyl transferase type I | 8568811 |
| Geranylgeranyl transferase type I | IC50 | = | 100000.0 | nM | 4.0 | Activity against Geranylgeranyl transferase type I | 9301658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9301658 | 10.1021/jm970226l | Protein farnesyltransferase | 2 |
| 8568811 | 10.1021/jm950414g | Protein farnesyltransferase | 1 |
| 8568811 | 10.1021/jm950414g | Geranylgeranyl transferase type I | 1 |
| 9301658 | 10.1021/jm970226l | 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