Compound Detail
CHEMBL338697
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Basic Information
| ChEMBL ID | CHEMBL338697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLFIDMJLIWONGW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
429.0
MW (Da)
5.50
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.54
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.1 | 6.1 | 800.0 | 3 |
| Sodium-dependent neutral amino acid transporter B(0)AT2 CHEMBL3351189 | IC50 | 4.79 | 4.79 | 16100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 800.0 | nM | 6.1 | Inhibitory activity against recombinant human farnesyltransferase | 9406600 |
| Protein farnesyltransferase | IC50 | = | 800.0 | nM | 6.1 | FPT inhibitory activity was determined by the ability to inhibit the transfer of... | 11844681 |
| Protein farnesyltransferase | IC50 | = | 800.0 | nM | 6.1 | FPT inhibitory activity was determined by the ability to inhibit the transfer of... | 11844681 |
| Sodium-dependent neutral amino acid transporter B(0)AT2 | IC50 | = | 16100.0 | nM | 4.79 | Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within ... | 25318072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844681 | 10.1016/s0960-894x(01)00826-5 | Protein farnesyltransferase | 2 |
| 9406600 | 10.1021/jm970291v | Protein farnesyltransferase | 1 |
| 25318072 | 10.1021/jm501086v | Sodium-dependent neutral amino acid transporter B(0)AT2 | 1 |
Data from ChEMBL 36 via Core Engine