Compound Detail
CHEMBL100579
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Basic Information
| ChEMBL ID | CHEMBL100579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRONYHYWJWVKKK-JOCHJYFZSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
2.69
ALogP
5
HBA
1
HBD
74.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.68 | 7.495 | 21.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 7.3 | 50.1 | 1 |
| Geranylgeranyl transferase type-1 subunit beta CHEMBL4135 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 21.0 | nM | 7.68 | Concentration required to displace 50% of a potent radiolabeled FTI from farnesy... | 11520202 |
| Protein farnesyltransferase | IC50 | = | 49.0 | nM | 7.31 | In vitro inhibition of farnesyl transferase using purified recombinant human enz... | 11520202 |
| Unchecked | IC50 | = | 50.12 | nM | 7.3 | Inhibition of farnesyltransferase | 17448576 |
| Geranylgeranyl transferase type-1 subunit beta | IC50 | = | 46000.0 | nM | 4.34 | Inhibitory concentration of geranylgeranyl-protein transferase type I | 11520202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11520202 | 10.1021/jm010156p | Protein farnesyltransferase | 2 |
| 11520202 | 10.1021/jm010156p | Geranylgeranyl transferase type-1 subunit beta | 1 |
| 17448576 | 10.1016/j.ejmech.2007.02.003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine