Compound Detail
CHEMBL6040535
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Basic Information
| ChEMBL ID | CHEMBL6040535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRKKHKMPJRIIPU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
4.63
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 CHEMBL3580522 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 | IC50 | = | 53.0 | nM | 7.28 | Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay: All binding studies ... | - |
Data from ChEMBL 36 via Core Engine