Compound Detail
CHEMBL53862
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CN1Cc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)NC(=O)[C@H]1Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL53862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYAJXJYFHAJINJ-SSEXGKCCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
5.74
ALogP
6
HBA
1
HBD
83.2
PSA (Ų)
0.33
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 6.74 | 6.74 | 184.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 2.7 | nM | 8.57 | In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed i... | 11459639 |
| Protein farnesyltransferase | IC50 | = | 184.0 | nM | 6.74 | In vitro ability to displace radiolabeled FTI from farnesyltransferase in cultur... | 11459639 |
| Geranylgeranyl transferase type I | IC50 | = | 350.0 | nM | 6.46 | In vitro inhibitory activity to reduce the human geranylgeranyl transferase type... | 11459639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459639 | 10.1016/s0960-894x(01)00340-7 | Protein farnesyltransferase | 2 |
| 11459639 | 10.1016/s0960-894x(01)00340-7 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine