Compound Detail
CHEMBL4543933
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CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4543933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKGADTJDRXXGDI-VFNJYCGPSA-N |
1
Targets
4
Activities
3
Assay Types
2
PK Parameters
0
Publications
0
Known Names
Molecular Properties
2415.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.22
IC50 1 meas. best 7.75
Kd 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue factor pathway inhibitor CHEMBL3713062 | EC50 | 10.22 | 8.38 | 0.1 | 2 |
| Tissue factor pathway inhibitor CHEMBL3713062 | Kd | 8.62 | 8.62 | 2.4 | 1 |
| Tissue factor pathway inhibitor CHEMBL3713062 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 0.8333 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue factor pathway inhibitor | EC50 | = | 0.06 | nM | 10.22 | Inhibition of C-terminus 10x-His-taged human TFPI-1 (29 to 282 residues) assesse... | - |
| Tissue factor pathway inhibitor | Kd | = | 2.4 | nM | 8.62 | Binding affinity to C-terminus 10x-His-taged human TFPI-1 (29 to 282 residues) i... | - |
| Tissue factor pathway inhibitor | IC50 | = | 18.0 | nM | 7.75 | Binding affinity to TFPI (unknown origin) incubated for 1.5 hrs using tracer pep... | - |
| Tissue factor pathway inhibitor | EC50 | = | 290.0 | nM | 6.54 | Inhibition of TFPI in human plasma with induced factor-8 deficiency assessed as ... | - |
Data from ChEMBL 36 via Core Engine