Compound Detail
CHEMBL300206
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Basic Information
| ChEMBL ID | CHEMBL300206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOFBXIHLMNJMOE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
3.15
ALogP
6
HBA
2
HBD
109.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 6.39 | 6.39 | 409.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 2.5 | nM | 8.6 | In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed i... | 11459639 |
| Geranylgeranyl transferase type I | IC50 | = | 250.0 | nM | 6.6 | In vitro inhibitory activity to reduce the human geranylgeranyl transferase type... | 11459639 |
| Protein farnesyltransferase | IC50 | = | 409.0 | nM | 6.39 | In vitro ability to displace radiolabeled FTI from farnesyltransferase in cultur... | 11459639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459639 | 10.1016/s0960-894x(01)00340-7 | Protein farnesyltransferase | 2 |
| 11459639 | 10.1016/s0960-894x(01)00340-7 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine