Compound Detail
CHEMBL283369
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O=C1CN2CCc3cncn3Cc3ccc(C#CCCC(F)(F)F)c(c3)Oc3ccc4cccc(c4c3)N1CC2
Basic Information
| ChEMBL ID | CHEMBL283369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZUKRNKCJCVHQD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
544.6
MW (Da)
5.78
ALogP
5
HBA
0
HBD
50.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 9.09 | 8.65 | 0.8 | 2 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.81 | nM | 9.09 | Displacement of radiolabeled FTI from Farnesyltransferase in v-Ha-ras-transforme... | 11965368 |
| Geranylgeranyl transferase type I | IC50 | = | 4.8 | nM | 8.32 | Inhibition of the human Geranylgeranyl transferase type I catalyzed incorporatio... | 11965368 |
| Protein farnesyltransferase | IC50 | = | 6.1 | nM | 8.21 | Inhibition of Farnesyltransferase catalyzed incorporation of [3H]-FPP into recom... | 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