Compound Detail
CHEMBL201903
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O=C(NCCCc1c[nH]cn1)C1CN(C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL201903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKBCPWSPMZLASX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
669.1
MW (Da)
5.19
ALogP
5
HBA
3
HBD
106.2
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.01 | 7.95 | 9.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 9.7 | nM | 8.01 | Inhibitory activity against Ha-Ras processing in COS7 cells | 16289818 |
| Protein farnesyltransferase | IC50 | = | 13.0 | nM | 7.89 | Inhibitory activity against farnesyltransferase quantified by SPA assay | 16289818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16289818 | 10.1016/j.bmcl.2005.10.070 | Protein farnesyltransferase | 2 |
Data from ChEMBL 36 via Core Engine