Compound Detail
CHEMBL76733
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NCc1ccc(CNC(=O)CCC(=O)NCc2ccc(CNC(=O)CCC(=O)NCc3ccc(CN)cc3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL76733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKWZPPLXHJULQB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
572.7
MW (Da)
2.03
ALogP
6
HBA
6
HBD
168.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptase beta-1 CHEMBL2617 | Ki | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptase beta-1 | Ki | = | 3.0 | nM | 8.52 | Inhibitory potency against tryptase | 11055355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11055355 | 10.1016/s0960-894x(00)00484-4 | Tryptase beta-1 | 1 |
| 11055355 | 10.1016/s0960-894x(00)00484-4 | Serine protease 1 | 1 |
| 11055355 | 10.1016/s0960-894x(00)00484-4 | Prothrombin | 1 |
| 11055355 | 10.1016/s0960-894x(00)00484-4 | Plasminogen | 1 |
Data from ChEMBL 36 via Core Engine