Compound Detail
CHEMBL334496
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CC(=O)N1CCN(c2nc(CO[C@@H]3c4cc(C(C)(C)C)ccc4S[C@@H]3Cn3ccnc3)ns2)CC1
Basic Information
| ChEMBL ID | CHEMBL334496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYHWTELBPLMWPQ-FYYLOGMGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
512.7
MW (Da)
4.13
ALogP
9
HBA
0
HBD
76.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 5.32 | 5.3 | 4800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 4800.0 | nM | 5.32 | Inhibitory activity against recombinant human farnesyltransferase | 9406600 |
| Protein farnesyltransferase | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of Farnesyltransferase (FPT) in FPT Ras/TCA assay | 9406600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9406600 | 10.1021/jm970291v | Protein farnesyltransferase | 3 |
| 9406600 | 10.1021/jm970291v | Geranylgeranyl transferase type I | 1 |
| 9406600 | 10.1021/jm970291v | Protein farnesyl/geranylgeranyl transferase | 1 |
Data from ChEMBL 36 via Core Engine