Compound Detail
CHEMBL2203624
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Cc1ncn(Cc2ccc(C#N)cc2)c1CN1CC(=O)N(c2cccc(Cl)c2)C[C@@H]1CCS(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL2203624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUJNUEZQIXVXCJ-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
526.1
MW (Da)
3.42
ALogP
7
HBA
0
HBD
99.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.32 | 6.32 | 475.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 475.0 | nM | 6.32 | Inhibition of FTase | 21381769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21381769 | 10.1021/jm1012374 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine