Compound Detail
CHEMBL4591407
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CCSC1CC(=O)N(CCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)C(C)(C)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](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(C)C)C(C)C)C(N)=O)C1=O
Basic Information
| ChEMBL ID | CHEMBL4591407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVRHVLGDJSCKTI-REPOPCCGSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
3018.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.33
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue factor pathway inhibitor CHEMBL3713062 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Tissue factor pathway inhibitor CHEMBL3713062 | EC50 | 7.33 | 7.33 | 46.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue factor pathway inhibitor | IC50 | = | 4.02 | nM | 8.4 | Binding affinity to TFPI (unknown origin) incubated for 1.5 hrs using tracer pep... | - |
| Tissue factor pathway inhibitor | EC50 | = | 46.5 | nM | 7.33 | Inhibition of C-terminus 10x-His-taged human TFPI-1 (29 to 282 residues) assesse... | - |
Data from ChEMBL 36 via Core Engine