Compound Detail
CHEMBL361686
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O=C(NCCCn1ccnc1)[C@@H]1CCCCN1C1c2ncc(Br)cc2CCc2cc(Cl)cc(Br)c21
Basic Information
| ChEMBL ID | CHEMBL361686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTIZDEKMFQRQBY-XADRRFQNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
621.8
MW (Da)
5.71
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.36
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.4 | 9.225 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.4 | nM | 9.4 | Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase | 15501060 |
| Unchecked | IC50 | = | 0.9 | nM | 9.05 | Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase | 15501060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15501060 | 10.1016/j.bmcl.2004.09.020 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine