Compound Detail
CHEMBL141513
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
CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccc(C#N)cc2)cc1-c1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL141513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGRIIWOHDOZOIX-NDEPHWFRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
539.7
MW (Da)
5.02
ALogP
7
HBA
3
HBD
120.0
PSA (Ų)
0.23
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 7.2 | nM | 8.14 | Inhibition of mammalian Farnesyltransferase | 11277514 |
| Protein farnesyltransferase | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of mammalian H-Ras processing in NIH 3T3 cells | 11277514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277514 | 10.1016/s0960-894x(01)00055-5 | Plasmodium falciparum | 2 |
| 11277514 | 10.1016/s0960-894x(01)00055-5 | Protein farnesyltransferase | 2 |
| 14711313 | 10.1021/jm030236o | Protein farnesyltransferase | 1 |
| 14711313 | 10.1021/jm030236o | Trypanosoma brucei brucei | 1 |
| 14711313 | 10.1021/jm030236o | Trypanosoma brucei rhodesiense | 1 |
| 14711313 | 10.1021/jm030236o | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine