Compound Detail
CHEMBL310290
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
NCc1ccc(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCc3ccc(CN)cc3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL310290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEDBGWNXIHURPN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
576.6
MW (Da)
1.69
ALogP
8
HBA
6
HBD
186.9
PSA (Ų)
0.17
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptase CHEMBL2095193 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Tryptase beta-1 CHEMBL2617 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 4.08 | 4.08 | 84000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptase beta-1 | Ki | = | 0.6 | nM | 9.22 | Inhibitory potency against tryptase | 11055355 |
| Tryptase | Ki | = | 0.6 | nM | 9.22 | Binding affinity against Tryptase. | 10669559 |
| Serine protease 1 | Ki | = | 84000.0 | nM | 4.08 | Inhibitory potency against trypsin | 11055355 |
| Serine protease 1 | Ki | = | 84000.0 | nM | 4.08 | Binding affinity against Trypsin | 10669559 |
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 |
| 10669559 | 10.1021/jm990412m | Tryptase | 1 |
| 10669559 | 10.1021/jm990412m | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine