Compound Detail
CHEMBL100415
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Basic Information
| ChEMBL ID | CHEMBL100415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAXGNXOJOSOUQQ-SANMLTNESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
4.21
ALogP
5
HBA
0
HBD
65.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.38 | 7.325 | 42.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 42.0 | nM | 7.38 | Concentration required to displace 50% of a potent radiolabeled FTI from farnesy... | 11520202 |
| Protein farnesyltransferase | IC50 | = | 54.0 | nM | 7.27 | In vitro inhibition of farnesyl transferase using purified recombinant human enz... | 11520202 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of human ERG channel | 19534531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11520202 | 10.1021/jm010156p | Protein farnesyltransferase | 2 |
| 11520202 | 10.1021/jm010156p | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19534531 | 10.1021/jm900002x | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine