Compound Detail
CHEMBL5549921
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CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5549921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMCIXPLSMRUUJC-IYBFNMOPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1298.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis A virus cellular receptor 2 CHEMBL4630879 | Kd | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis A virus cellular receptor 2 | Kd | = | 4100.0 | nM | 5.39 | Binding affinity to recombinant His-tagged human TIM-3 expressed in HEK293 asses... | 38894912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38894912 | 10.1021/acsmedchemlett.3c00567 | Hepatitis A virus cellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine