Compound Detail
CHEMBL151059
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Basic Information
| ChEMBL ID | CHEMBL151059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAQIRIMIVLFYIX-ZFWWWQNUSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
1.60
ALogP
3
HBA
2
HBD
75.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Ki 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tripeptidyl-peptidase 2 CHEMBL4675 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Tripeptidyl-peptidase 2 CHEMBL4675 | Ki | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tripeptidyl-peptidase 2 | IC50 | = | 7.0 | nM | 8.15 | Inhibitory activity against tripeptidyl peptidase II purified from rat liver | 12431057 |
| Tripeptidyl-peptidase 2 | Ki | = | 7.0 | nM | 8.15 | Inhibition of TPPII in rat cerebral membrane | 16279793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 12431057 | 10.1021/jm0202831 | Tripeptidyl-peptidase 2 | 1 |
| 16279793 | 10.1021/jm0500830 | Tripeptidyl-peptidase 2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine