Compound Detail
CHEMBL343845
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O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ccc(Cl)c(Cl)c3CCc3cc(Br)cnc32)CC1
Basic Information
| ChEMBL ID | CHEMBL343845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKGYPBDRQKFJKZ-VWLOTQADSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
562.3
MW (Da)
4.36
ALogP
4
HBA
0
HBD
63.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.22 | 7.26 | 6.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 6.0 | nM | 8.22 | Compound ability to inhibit the transfer of [3H]- farnesyl from Farnesyltransfer... | 9822558 |
| Protein farnesyltransferase | IC50 | = | 500.0 | nM | 6.3 | 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 |
Data from ChEMBL 36 via Core Engine