Compound Detail
CHEMBL149680
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Basic Information
| ChEMBL ID | CHEMBL149680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCFXGCBFYOZPJW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
2.07
ALogP
5
HBA
2
HBD
94.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxypeptidase B2 CHEMBL3419 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxypeptidase B2 | IC50 | = | 6.0 | nM | 8.22 | In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in ... | 14640538 |
| ADMET | IC50 | = | 8.0 | nM | 8.1 | In vitro inhibition of thrombin-activatable fibrinolysis was determined by clot ... | 14640538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640538 | 10.1021/jm034141y | ADMET | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine