Compound Detail
CHEMBL22675
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COc1cc(C(F)(F)F)ccc1-c1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL22675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKZRKBVNTOVNAA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
555.0
MW (Da)
6.13
ALogP
5
HBA
0
HBD
50.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 6.41 | 6.41 | 392.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.73 | 5.73 | 1860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 392.0 | nM | 6.41 | Inhibition of Farnesyltransferase catalyzed incorporation of [3H]-FPP into recom... | 11965368 |
| Geranylgeranyl transferase type I | IC50 | = | 1860.0 | nM | 5.73 | Inhibition of the human Geranylgeranyl transferase type I catalyzed incorporatio... | 11965368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11965368 | 10.1016/s0960-894x(02)00154-3 | Protein farnesyltransferase | 2 |
| 11965368 | 10.1016/s0960-894x(02)00154-3 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine