Compound Detail
CHEMBL131204
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O=C1c2cc([N+](=O)[O-])cc(C(=O)N3CCCCC3)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL131204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQGJLHAKPQGERB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.3
MW (Da)
3.25
ALogP
8
HBA
0
HBD
166.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 4.02 | 4.02 | 96000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 96000.0 | nM | 4.02 | 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