Compound Detail
CHEMBL2164453
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Basic Information
| ChEMBL ID | CHEMBL2164453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWVFNXQLXNWAHW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
191.3
MW (Da)
1.14
ALogP
3
HBA
3
HBD
63.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxypeptidase B2 CHEMBL3419 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Carboxypeptidase B CHEMBL4065 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxypeptidase B2 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 m... | 22891675 |
| Carboxypeptidase B | IC50 | = | 36.0 | nM | 7.44 | Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incub... | 22891675 |
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of human carboxypeptidase N using Hip-Lys as substrate incubated for ... | 22891675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22891675 | 10.1021/jm300735t | Unchecked | 2 |
| 22891675 | 10.1021/jm300735t | Carboxypeptidase B | 1 |
| 22891675 | 10.1021/jm300735t | Carboxypeptidase B2 | 1 |
Data from ChEMBL 36 via Core Engine