Compound Detail
CHEMBL4441950
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Basic Information
| ChEMBL ID | CHEMBL4441950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABMPKFGOKPZWFW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.93
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 CHEMBL4523993 | IC50 | 9.04 | 9.04 | 0.9 | 1 |
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 | IC50 | = | 0.92 | nM | 9.04 | Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) e... | 31298541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31298541 | 10.1021/acs.jmedchem.9b00795 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 1 |
| 38442487 | 10.1021/acs.jmedchem.3c02342 | No relevant target | 1 |
| 38442487 | 10.1021/acs.jmedchem.3c02342 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine