Compound Detail
CHEMBL5169494
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C[C@@H](O)[C@H](NC(=O)N[C@@H](CC(N)=O)c1nc([C@H](N)CO)no1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5169494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFOBENSCBRZVSP-NRFSWKIWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
-2.89
ALogP
9
HBA
7
HBD
226.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.18 | 7.18 | 66.1 | 1 |
| V-type immunoglobulin domain-containing suppressor of T-cell activation CHEMBL4523457 | EC50 | 7.08 | 7.08 | 82.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 66.1 | nM | 7.18 | Inhibition of PD-L1 in human PBMC | 36083840 |
| V-type immunoglobulin domain-containing suppressor of T-cell activation | EC50 | = | 82.9 | nM | 7.08 | Inhibition of VISTA in human PBMC | 36083840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36083840 | 10.1021/acs.jmedchem.2c00803 | Unchecked | 1 |
| 36083840 | 10.1021/acs.jmedchem.2c00803 | V-type immunoglobulin domain-containing suppressor of T-cell activation | 1 |
Data from ChEMBL 36 via Core Engine