Compound Detail
CHEMBL1790332
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
CC[C@@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)NC[C@@H](N)S
Basic Information
| ChEMBL ID | CHEMBL1790332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYMOTDQQAAKWQI-XZEJUNMKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
503.7
MW (Da)
0.84
ALogP
8
HBA
5
HBD
147.8
PSA (Ų)
0.16
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1.8 | nM | 8.74 | Inhibitory concentration against farnesyltransferase was determined | 15055985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15055985 | 10.1021/jm0305467 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine