Compound Detail
CHEMBL100526
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL100526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEOWAWJUOWQWJH-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
4.96
ALogP
5
HBA
0
HBD
71.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.22 | 9.22 | 0.6 | 2 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.6 | nM | 9.22 | Concentration required to inhibit recombinant human farnesyltransferase (FTase) ... | 12825937 |
| Protein farnesyltransferase | IC50 | = | 0.6 | nM | 9.22 | Inhibition of FPTase (unknown origin) | - |
| Geranylgeranyl transferase type I | IC50 | = | 10.0 | nM | 8.0 | Concentration required to inhibit recombinant human geranylgeranyl transferase t... | 12825937 |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of GGPTase-1 (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825937 | 10.1021/jm020587n | Protein farnesyltransferase | 1 |
| 12825937 | 10.1021/jm020587n | Geranylgeranyl transferase type I | 1 |
| - | 10.1039/C2MD20199B | Protein farnesyltransferase | 1 |
| - | 10.1039/C2MD20199B | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine