Compound Detail
CHEMBL4108209
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
CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCOC(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4108209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGDYLVXYFDBBGW-AREMUKBSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
559.6
MW (Da)
4.18
ALogP
8
HBA
4
HBD
152.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor VII CHEMBL3991 | Ki | 7.96 | 7.46 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor VII | Ki | = | 11.0 | nM | 7.96 | In Vitro Assay: FVIIa-Xase Ki (37° C.): S2765 (0.5 mM), PCPS (25 μM), calcium ch... | - |
| Coagulation factor VII | Ki | = | 110.0 | nM | 6.96 | In Vitro Assay: Tissue kallikrein-1 (37° C) activity was determined in reactions... | - |
Data from ChEMBL 36 via Core Engine