Compound Detail
CHEMBL430778
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O=C(c1ccccc1OC(F)(F)F)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccncc3)cc2C1
Basic Information
| ChEMBL ID | CHEMBL430778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBROKHNFEQXGSA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
493.5
MW (Da)
5.03
ALogP
5
HBA
1
HBD
74.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.62
EC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.62 | 6.12 | 24.0 | 2 |
| Rat1 CHEMBL614630 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 24.0 | nM | 7.62 | Inhibitory concentration against farnesyltransferase was determined | 15055985 |
| Rat1 | EC50 | = | 160.0 | nM | 6.8 | Inhibition of anchorage independent growth of H-Ras transformed Rat-1 cells. | 10602709 |
| Protein farnesyltransferase | IC50 | = | 24000.0 | nM | 4.62 | Inhibitory activity against human purified recombinant farnesyltransferase (hFT) | 10602709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10602709 | 10.1021/jm990391w | Protein farnesyltransferase | 3 |
| 15055985 | 10.1021/jm0305467 | Protein farnesyltransferase | 1 |
| 10602709 | 10.1021/jm990391w | Rat1 | 1 |
Data from ChEMBL 36 via Core Engine