Compound Detail
CHEMBL315402
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O=C(O)c1cncc(C(=O)N2CCC(CC(=O)N3CCC([C@H]4c5ncc(Br)cc5CCc5cc(Cl)cc(Br)c54)CC3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL315402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXRDSFHISHNZJF-SSEXGKCCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
744.9
MW (Da)
6.76
ALogP
5
HBA
1
HBD
103.7
PSA (Ų)
0.31
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.8 | nM | 9.1 | Inhibitory activity against Hras Farnesyltransferase (FPT). | 10411485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10411485 | 10.1021/jm990059k | Protein farnesyltransferase | 2 |
| 10411485 | 10.1021/jm990059k | COS-1 | 1 |
Data from ChEMBL 36 via Core Engine