Compound Detail
CHEMBL4461957
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CSCC[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)C(C)C)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4461957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYDZZVKOWHXCDQ-TYABKBPTSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
2994.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.2
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue factor pathway inhibitor CHEMBL3713062 | EC50 | 6.2 | 6.19 | 630.0 | 4 |
| Tissue factor pathway inhibitor CHEMBL3713062 | IC50 | 5.28 | 5.28 | 5207.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue factor pathway inhibitor | EC50 | = | 630.0 | nM | 6.2 | Inhibition of C-terminus 10x-His-taged human TFPI-1 (29 to 282 residues) assesse... | - |
| Tissue factor pathway inhibitor | EC50 | = | 630.0 | nM | 6.2 | Inhibition of C-terminus 10x-His-taged human TFPI-1 (29 to 282 residues) assesse... | - |
| Tissue factor pathway inhibitor | EC50 | = | 660.0 | nM | 6.18 | Inhibition of C-terminus 10x-His-taged human TFPI-1 (29 to 282 residues) assesse... | - |
| Tissue factor pathway inhibitor | EC50 | = | 660.0 | nM | 6.18 | Inhibition of C-terminus 10x-His-taged human TFPI-1 (29 to 282 residues) assesse... | - |
| Tissue factor pathway inhibitor | IC50 | = | 5207.0 | nM | 5.28 | Binding affinity to TFPI (unknown origin) incubated for 1.5 hrs using tracer pep... | - |
| Tissue factor pathway inhibitor | IC50 | = | 5207.0 | nM | 5.28 | Binding affinity to TFPI (unknown origin) incubated for 1.5 hrs using tracer pep... | - |
Data from ChEMBL 36 via Core Engine