Compound Detail
CHEMBL91213
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O=C(CC1CCN(C(=O)Cn2cccc2)CC1)N1CCC([C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c32)CC1
Basic Information
| ChEMBL ID | CHEMBL91213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMLYAVYEFBDHJX-WJOKGBTCSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
702.9
MW (Da)
6.86
ALogP
4
HBA
0
HBD
58.4
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.37 | 8.21 | 4.3 | 2 |
| COS-1 CHEMBL614563 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 4.3 | nM | 8.37 | Inhibitory activity against Hras Farnesyltransferase (FPT). | 10411485 |
| Protein farnesyltransferase | IC50 | = | 9.0 | nM | 8.05 | Effect on Ras processing in Cos-1 monkey kidney cells expressing either H-Ras-Va... | 10411485 |
| COS-1 | IC50 | = | 460.0 | nM | 6.34 | inhibition of tumor colony formation in soft agar | 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