Compound Detail
CHEMBL102031
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Basic Information
| ChEMBL ID | CHEMBL102031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXHQWPNCWHXRFZ-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
2.09
ALogP
6
HBA
1
HBD
86.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Geranylgeranyl transferase type-1 subunit beta CHEMBL4135 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 370.0 | nM | 6.43 | In vitro inhibition of farnesyl transferase using purified recombinant human enz... | 11520202 |
| Geranylgeranyl transferase type-1 subunit beta | IC50 | = | 36000.0 | nM | 4.44 | Inhibitory concentration of geranylgeranyl-protein transferase type I | 11520202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11520202 | 10.1021/jm010156p | Protein farnesyltransferase | 1 |
| 11520202 | 10.1021/jm010156p | Geranylgeranyl transferase type-1 subunit beta | 1 |
Data from ChEMBL 36 via Core Engine