Compound Detail
CHEMBL335510
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O=[N+]([O-])c1ccc(O)c(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL335510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGPCKPZYOUWFEZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.3
MW (Da)
4.50
ALogP
11
HBA
1
HBD
235.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 100000.0 | nM | 4.0 | In vitro inhibition of Farnesyltransferase (FT) by using FT [3H]-SPA kit. | 10669567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669567 | 10.1021/jm990408a | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine