Compound Detail
CHEMBL4636177
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Cc1csc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(=O)N3)CN2C(=O)c2ccc(C(=O)O)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL4636177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVHMKFUZATUMNC-JYJNAYRXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
485.5
MW (Da)
1.16
ALogP
7
HBA
3
HBD
149.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-alpha-acetyltransferase 50 CHEMBL4630854 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-alpha-acetyltransferase 50 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of wild type human Naa50 (1852 to 2082 residues) expressed in Escheri... | 32550998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32550998 | 10.1021/acsmedchemlett.0c00029 | N-alpha-acetyltransferase 50 | 1 |
| 32550998 | 10.1021/acsmedchemlett.0c00029 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine