Compound Detail
CHEMBL3115260
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Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3(C)CCCCC3)CC2)c2ccc(Cl)cc21
Basic Information
| ChEMBL ID | CHEMBL3115260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWXSHNQCPSUCSH-NYDCQLBNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
576.1
MW (Da)
5.80
ALogP
7
HBA
1
HBD
83.7
PSA (Ų)
0.42
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NIH-H CHEMBL615000 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NIH-H | IC50 | = | 2.0 | nM | 8.7 | Inhibition of inhibit anchorage-independent growth of human NIH-H cells in soft ... | 24462667 |
| Protein farnesyltransferase | IC50 | = | 5.5 | nM | 8.26 | Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [... | 24462667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24462667 | 10.1016/j.bmcl.2013.12.046 | NIH-H | 1 |
| 24462667 | 10.1016/j.bmcl.2013.12.046 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine