Compound Detail
CHEMBL356519
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O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc32)CC1
Basic Information
| ChEMBL ID | CHEMBL356519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJUJMRKMMSIRJG-DEOSSOPVSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
605.8
MW (Da)
5.61
ALogP
3
HBA
0
HBD
60.1
PSA (Ų)
0.29
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.59 | 7.455 | 2.6 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 10400.0 | ng.hr.mL-1 | Macaca fascicularis |
| Cmax | 2000.0 | nM | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 2.6 | nM | 8.59 | Compound ability to inhibit the transfer of [3H]- farnesyl from Farnesyltransfer... | 9822558 |
| Protein farnesyltransferase | IC50 | = | 480.0 | nM | 6.32 | Inhibiting the farnesylation of H-ras proteins in COS-7 monkey cells transiently... | 9822558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9822558 | 10.1021/jm980462b | Protein farnesyltransferase | 3 |
| 9822558 | 10.1021/jm980462b | Cynomolgus monkey | 2 |
| 9822558 | 10.1021/jm980462b | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine