Compound Detail
CHEMBL364342
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NC(=O)N1CCC(CC(=O)N2CCC([C@@H]3c4ncc(Br)cc4C=Cc4cc(Cl)cc(Br)c43)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL364342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHJYBXKCAUZIFW-VWLOTQADSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
636.8
MW (Da)
6.30
ALogP
3
HBA
1
HBD
79.5
PSA (Ų)
0.43
QED
2
Ro5 Violations
3
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 |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 7000.0 | ng.hr.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.4 | nM | 9.4 | Inhibition of [3H]FPP incorporation into H-ras CVLS by Farnesyltransferase | 15501065 |
| NON-PROTEIN TARGET | IC50 | = | 50.0 | nM | 7.3 | Inhibition of soft agar colony formation in H-Ras transformed cells | 15501065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15501065 | 10.1016/j.bmcl.2004.09.020 | Protein farnesyltransferase | 1 |
| 15501065 | 10.1016/j.bmcl.2004.09.020 | NON-PROTEIN TARGET | 1 |
| 15501065 | 10.1016/j.bmcl.2004.09.020 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine