Compound Detail
CHEMBL5782844
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Cc1nc(N)ccc1CNC(=O)[C@H](C)NC(=O)[C@@H](CCc1ccccc1)NCc1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL5782844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWPMEQBOUBZZII-YADARESESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.0
MW (Da)
3.54
ALogP
5
HBA
4
HBD
109.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mannan-binding lectin serine protease 2 CHEMBL4295646 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 4.76 | 4.76 | 17500.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mannan-binding lectin serine protease 2 | Ki | = | 1500.0 | nM | 5.82 | Enzymatic Assay for MASP-2: The assay was run at room temperature in an assay bu... | - |
| Unchecked | Ki | = | 17500.0 | nM | 4.76 | Enzymatic Assay for MASP-2: The assay was run at room temperature in an assay bu... | - |
| Prothrombin | Ki | = | 17500.0 | nM | 4.76 | Enzymatic Assay for Thrombin: The thrombin assay utilizes a fluorogenic peptide ... | - |
Data from ChEMBL 36 via Core Engine