Compound Detail
CHEMBL3894172
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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)N(C)CC(=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](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL3894172 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BSWBCDUBCHDFSM-YTMVHBNOSA-N |
1
Targets
10
Activities
3
Assay Types
2
PK Parameters
0
Publications
0
Known Names
Molecular Properties
2358.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.0
IC50 3 meas. best 8.28
Kd 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue factor pathway inhibitor CHEMBL3713062 | Kd | 9.52 | 9.52 | 0.3 | 1 |
| Tissue factor pathway inhibitor CHEMBL3713062 | IC50 | 8.28 | 8.1267 | 5.3 | 3 |
| Tissue factor pathway inhibitor CHEMBL3713062 | EC50 | 8.0 | 7.3 | 10.0 | 6 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 0.6667 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine