Compound Detail
CHEMBL23219
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O=C1CN(Cc2cncn2Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CCN1c1cccc(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL23219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUVHQULSIKGMES-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
542.0
MW (Da)
5.39
ALogP
6
HBA
0
HBD
63.5
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 52.0 | nM | 7.28 | Inhibition of Farnesyltransferase catalyzed incorporation of [3H]-FPP into recom... | 11965368 |
| Geranylgeranyl transferase type I | IC50 | = | 560.0 | nM | 6.25 | 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