Compound Detail
CHEMBL359140
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O=C(Nc1ccc2c(c1)N(Cc1c[nH]cn1)CCN(C(=O)c1cccc3ccccc13)C2)OC1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL359140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCCYZUXEMVAFFV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
6.11
ALogP
5
HBA
2
HBD
90.6
PSA (Ų)
0.33
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.96
IC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rat1 CHEMBL614630 | EC50 | 6.96 | 6.96 | 110.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rat1 | EC50 | = | 110.0 | nM | 6.96 | Inhibition of anchorage independent growth of H-Ras transformed Rat-1 cells. | 10602709 |
| Protein farnesyltransferase | IC50 | = | 28000.0 | nM | 4.55 | Inhibitory activity against human purified recombinant farnesyltransferase (hFT) | 10602709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10602709 | 10.1021/jm990391w | Protein farnesyltransferase | 3 |
| 10602709 | 10.1021/jm990391w | Rat1 | 1 |
Data from ChEMBL 36 via Core Engine