Compound Detail
CHEMBL430073
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Cn1cncc1CN(Cc1ccc(C#N)cc1)C(=O)N1CCC(C#N)=C(c2cccc3ccccc23)C1
Basic Information
| ChEMBL ID | CHEMBL430073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRCFAJOBBUQTRU-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
5.25
ALogP
5
HBA
0
HBD
89.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.46
EC50 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | EC50 | 7.01 | 7.01 | 97.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 3.5 | nM | 8.46 | In vitro inhibition of farnesyltransferase | 12657283 |
| Protein farnesyltransferase | EC50 | = | 97.0 | nM | 7.01 | Inhibition of Ras farnesylation in Human Ha-Ras oncogene-transformed BALB/c 3T3 ... | 12657283 |
| Geranylgeranyl transferase type I | IC50 | = | 4000.0 | nM | 5.4 | In vitro inhibition of geranylgeranyltransferase-1 | 12657283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657283 | 10.1016/s0960-894x(03)00094-5 | Protein farnesyltransferase | 2 |
| 12657283 | 10.1016/s0960-894x(03)00094-5 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine