Compound Detail
CHEMBL5280712
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CSCC[C@H](NC(=O)/C(=C/c1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5280712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INBYZOYLFRCLNU-TWPMTZKHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.7
MW (Da)
0.86
ALogP
7
HBA
6
HBD
150.6
PSA (Ų)
0.18
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 160.0 | nM | 6.8 | Inhibition of farnesyltransferase (unknown origin) | 27690430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine