Compound Detail
CHEMBL151284
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Basic Information
| ChEMBL ID | CHEMBL151284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTOFKXZQQDSVFH-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
208.2
MW (Da)
1.40
ALogP
2
HBA
2
HBD
74.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.35
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxypeptidase A1 CHEMBL2088 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Mast cell carboxypeptidase A CHEMBL2645 | Ki | 6.35 | 6.35 | 450.0 | 1 |
| Carboxypeptidase A1 CHEMBL3481 | Ki | 6.3 | 6.3 | 500.0 | 1 |
| Carboxypeptidase B2 CHEMBL3419 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Carboxypeptidase B CHEMBL2552 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Carboxypeptidase B CHEMBL6098 | Ki | 4.92 | 4.92 | 11900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxypeptidase A1 | IC50 | = | 400.0 | nM | 6.4 | In vitro inhibition of Carboxypeptidase A (CPA) was determined by clot lysis ass... | 14640538 |
| Mast cell carboxypeptidase A | Ki | = | 450.0 | nM | 6.35 | The compound was evaluated for the inhibition of Carboxypeptidase A | 12477342 |
| Carboxypeptidase A1 | Ki | = | 500.0 | nM | 6.3 | Inhibition of bovine carboxypeptidase A1 | 19386397 |
| Carboxypeptidase B2 | IC50 | = | 1600.0 | nM | 5.8 | In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in ... | 14640538 |
| Carboxypeptidase B | Ki | = | 10000.0 | nM | 5.0 | Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris ... | 19386397 |
| Carboxypeptidase B | Ki | = | 11900.0 | nM | 4.92 | Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pa... | 19386397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640538 | 10.1021/jm034141y | ADMET | 2 |
| 19386397 | 10.1016/j.ejmech.2009.03.034 | Carboxypeptidase B | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 12477342 | 10.1021/jm020424z | Mast cell carboxypeptidase A | 1 |
| 14640538 | 10.1021/jm034141y | Carboxypeptidase B2 | 1 |
| 14640538 | 10.1021/jm034141y | Carboxypeptidase A1 | 1 |
| 14640538 | 10.1021/jm034141y | Unchecked | 1 |
| 14640538 | 10.1021/jm034141y | Carboxypeptidase M | 1 |
| 19386397 | 10.1016/j.ejmech.2009.03.034 | Carboxypeptidase A1 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine