Compound Detail
CHEMBL1270358
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N=C(N)NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@@H](CC1CCN(C(=N)N)CC1)NS(=O)(=O)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1270358 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | HMQWIRFHNFIEBD-VQTJNVASSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
565.7
MW (Da)
-1.47
ALogP
7
HBA
8
HBD
236.4
PSA (Ų)
0.05
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 9.08 | 9.08 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 0.83 | nM | 9.08 | Inhibition of factor 10a | 20503967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine