Compound Detail
CHEMBL4647652
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Basic Information
| ChEMBL ID | CHEMBL4647652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDPADJJUIZEJSZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
2.18
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.91 | 7.91 | 12.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 12.3 | nM | 7.91 | Binding affinity to SARS CoV N-terminal his-tagged Main protease using Dabcyl-KT... | 34798775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32061485 | 10.1016/j.bmc.2020.115353 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 34798775 | 10.1021/acs.jmedchem.1c00409 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine