Compound Detail
CHEMBL4445464
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CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4445464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNRXGRMVFHHKQV-UOMUMQQASA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1633.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 CHEMBL4523993 | EC50 | 9.39 | 7.91 | 0.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 | EC50 | = | 0.41 | nM | 9.39 | Inhibition of human PD-1 expressed in rat PBMCs/human PD-L1 expressed in MDA-MB-... | 31761384 |
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 | EC50 | = | 0.72 | nM | 9.14 | Inhibition of human PD-1/PD-L1 interaction | 31761384 |
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 | EC50 | = | 6300.0 | nM | 5.2 | Inhibition of PD1/PDL1 interaction in human jurkat cells co-expressing TCR promo... | 30247903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31761384 | 10.1016/j.ejmech.2019.111876 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 2 |
| 30247903 | 10.1021/acs.jmedchem.8b00990 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine