Compound Detail
CHEMBL215780
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Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)Cc2ccc(C#N)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL215780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTULHUYCFSMXCU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
2.79
ALogP
9
HBA
0
HBD
123.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase (PFT) CHEMBL2111381 | IC50 | 7.02 | 7.02 | 95.0 | 1 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase (PFT) | IC50 | = | 95.0 | nM | 7.02 | Inhibition of Plasmodium falciparum PFT | 16970397 |
| Protein farnesyltransferase | IC50 | = | 350.0 | nM | 6.46 | Inhibition of rat PFT | 16970397 |
| Protein farnesyltransferase | IC50 | = | 370.0 | nM | 6.43 | Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP int... | 20822181 |
| Geranylgeranyl transferase type I | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of human geranylgeranyltransferase-1 assessed as incorporation of [3H... | 20822181 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16970397 | 10.1021/jm060081v | Protein farnesyltransferase (PFT) | 4 |
| 16970397 | 10.1021/jm060081v | Plasmodium falciparum | 2 |
| 20822181 | 10.1021/jm1001748 | Protein farnesyltransferase | 2 |
| 16970397 | 10.1021/jm060081v | Protein farnesyltransferase | 1 |
| 20822181 | 10.1021/jm1001748 | Geranylgeranyl transferase type I | 1 |
| 20822181 | 10.1021/jm1001748 | Unchecked | 1 |
| 20822181 | 10.1021/jm1001748 | Geranylgeranyl transferase type 1 | 1 |
Data from ChEMBL 36 via Core Engine