Compound Detail
CHEMBL440520
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)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NCc1c[nH]cn1)C(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL440520 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | QSMWLGPBYNHVSA-ACRUOGEOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
1.80
ALogP
6
HBA
4
HBD
127.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.94 | 6.94 | 114.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 4.76 | 4.76 | 17400.0 | 1 |
| Rat1 CHEMBL614630 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 114.0 | nM | 6.94 | Inhibition of Farnesyltransferase | 8558502 |
| Geranylgeranyl transferase type I | IC50 | = | 17400.0 | nM | 4.76 | Inhibition of Geranylgeranyl transferase type I | 8558502 |
| Rat1 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of anchorage-independent growth of H-Ras-transformed rat-1 cells in s... | 8558502 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558502 | 10.1021/jm9507284 | Protein farnesyltransferase | 1 |
| 8558502 | 10.1021/jm9507284 | Geranylgeranyl transferase type I | 1 |
| 8558502 | 10.1021/jm9507284 | Rat1 | 1 |
Data from ChEMBL 36 via Core Engine