Compound Detail
CHEMBL3974158
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CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CN(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3974158 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NVWUHSSKQVDMSY-JQIWLWSMSA-N |
2
Targets
13
Activities
3
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
2386.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 9 meas. best 7.22
IC50 3 meas. best 7.7
Kd 1 meas. best 8.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 8.67 | 8.67 | 2.1 | 1 |
| Tissue factor pathway inhibitor CHEMBL3713062 | IC50 | 7.7 | 7.7 | 20.0 | 3 |
| Tissue factor pathway inhibitor CHEMBL3713062 | EC50 | 7.22 | 6.6333 | 60.0 | 9 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine