Compound Detail
CHEMBL328743
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O=C(CC1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCC([C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c32)CC1
Basic Information
| ChEMBL ID | CHEMBL328743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFNXZDBGNUKYOO-JGCGQSQUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
750.0
MW (Da)
7.36
ALogP
4
HBA
0
HBD
70.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.77 | 7.115 | 17.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 17.1 | nM | 7.77 | Inhibitory activity against Hras Farnesyltransferase (FPT). | 10411485 |
| Protein farnesyltransferase | IC50 | = | 350.0 | nM | 6.46 | Effect on Ras processing in Cos-1 monkey kidney cells expressing either H-Ras-Va... | 10411485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10411485 | 10.1021/jm990059k | Protein farnesyltransferase | 2 |
Data from ChEMBL 36 via Core Engine