Compound Detail
CHEMBL28937
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Basic Information
| ChEMBL ID | CHEMBL28937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNWCSJWUFYSYRF-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
5.57
ALogP
4
HBA
0
HBD
50.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.19
EC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 7.19 | 7.135 | 65.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.07 | 7.07 | 85.1 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 65.0 | nM | 7.19 | In vitro inhibitory activity against farnesyltransferase (FTase) | 12657284 |
| Protein farnesyltransferase | IC50 | = | 84.0 | nM | 7.08 | Inhibition of Bovine farnesyl transferase | 15582430 |
| Unchecked | IC50 | = | 85.11 | nM | 7.07 | Inhibition of farnesyltransferase | 17448576 |
| Geranylgeranyl transferase type I | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of Bovine geranylgeranyl transferase | 15582430 |
| Protein farnesyltransferase | EC50 | = | 2700.0 | nM | 5.57 | Effective concentration against H-ras processing in NIH 3T3 cells | 15582430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15582430 | 10.1016/j.bmcl.2004.10.014 | Protein farnesyltransferase | 2 |
| 12657284 | 10.1016/s0960-894x(03)00096-9 | Protein farnesyltransferase | 1 |
| 15582430 | 10.1016/j.bmcl.2004.10.014 | Geranylgeranyl transferase type I | 1 |
| 15582430 | 10.1016/j.bmcl.2004.10.014 | Unchecked | 1 |
| 17448576 | 10.1016/j.ejmech.2007.02.003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine