Compound Detail
CHEMBL100868
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Basic Information
| ChEMBL ID | CHEMBL100868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRCIPCCRRZWPGD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
3.98
ALogP
5
HBA
1
HBD
79.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 41.0 | nM | 7.39 | Concentration required to inhibit recombinant human farnesyltransferase (FTase) ... | 12825937 |
| Unchecked | IC50 | = | 41.0 | nM | 7.39 | Inhibition of FTase | 17049856 |
| Geranylgeranyl transferase type I | IC50 | = | 1200.0 | nM | 5.92 | Concentration required to inhibit recombinant human geranylgeranyl transferase t... | 12825937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825937 | 10.1021/jm020587n | Protein farnesyltransferase | 1 |
| 12825937 | 10.1021/jm020587n | Geranylgeranyl transferase type I | 1 |
| 17049856 | 10.1016/j.bmcl.2006.09.055 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine