Compound Detail
CHEMBL23460
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(Cn2cncc2CCN2CCN(c3cccc(Cl)c3)C(=O)C2)ccc1-c1ccc(C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL23460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPUPJBLXXHGNPV-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
569.0
MW (Da)
6.17
ALogP
5
HBA
0
HBD
50.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.77
EC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 9.77 | 9.345 | 0.2 | 2 |
| Protein farnesyltransferase CHEMBL2094108 | EC50 | 7.55 | 7.55 | 28.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 6.82 | 6.82 | 151.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | EC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.17 | nM | 9.77 | Inhibition of Farnesyltransferase catalyzed incorporation of [3H]-FPP into recom... | 11965368 |
| Protein farnesyltransferase | IC50 | = | 1.2 | nM | 8.92 | Displacement of radiolabeled FTI from Farnesyltransferase in v-Ha-ras-transforme... | 11965368 |
| Protein farnesyltransferase | EC50 | = | 28.0 | nM | 7.55 | Inhibition of HDJ2 farnesylation in PSN-1 cells | 11965368 |
| Geranylgeranyl transferase type I | IC50 | = | 151.0 | nM | 6.82 | Inhibition of the human Geranylgeranyl transferase type I catalyzed incorporatio... | 11965368 |
| Geranylgeranyl transferase type I | EC50 | = | 3400.0 | nM | 5.47 | Inhibition of geranylgeranylation of Rap1a in PSN-1 cells | 11965368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11965368 | 10.1016/s0960-894x(02)00154-3 | Protein farnesyltransferase | 3 |
| 11965368 | 10.1016/s0960-894x(02)00154-3 | Geranylgeranyl transferase type I | 2 |
Data from ChEMBL 36 via Core Engine