Compound Detail
CHEMBL5826162
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COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1nc-2c(-c2cncnc2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5826162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPJJSWVFWUIVGU-NSYGIPOTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
662.1
MW (Da)
6.76
ALogP
7
HBA
3
HBD
142.2
PSA (Ų)
0.21
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma kallikrein CHEMBL2000 | Ki | 8.41 | 8.41 | 3.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma kallikrein | Ki | = | 3.9 | nM | 8.41 | Inhibition Assay: Plasma kallikrein determinations were made in 0.1 M sodium pho... | - |
Data from ChEMBL 36 via Core Engine