Compound Detail
CHEMBL6042019
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Cc1c(NC(=O)c2cc(C3CC3)c(CNC[C@@H](O)CC(=O)O)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(CNC[C@@H](O)CC(=O)O)cn2)c1C
Basic Information
| ChEMBL ID | CHEMBL6042019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOVFYQKDLYIOMO-KYJUHHDHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
764.9
MW (Da)
4.87
ALogP
10
HBA
8
HBD
223.1
PSA (Ų)
0.06
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.49
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 | 9.49 | 9.49 | 0.3 | 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 | = | 0.32 | nM | 9.49 | PD1-PDL1 HTRF Binding Activity Test: The effect of compounds and positive compou... | - |
Data from ChEMBL 36 via Core Engine