Compound Detail
CHEMBL5957724
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
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCN(C)C)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1cccc(C#N)c1
Basic Information
| ChEMBL ID | CHEMBL5957724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKXSEWPZWBQOMC-QGWJVEIISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
647.9
MW (Da)
4.29
ALogP
9
HBA
2
HBD
113.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XII CHEMBL2821 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XII | IC50 | = | 1.4 | nM | 8.85 | Factor XIIa Assay: The effectiveness of a compound of the present invention as a... | - |
Data from ChEMBL 36 via Core Engine