Compound Detail
CHEMBL5777528
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC(C)(O)C5)c(OC)n4)c3Cl)c2Cl)cnc1CN1CC(C)(O)C1
Basic Information
| ChEMBL ID | CHEMBL5777528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJCFDNCHZQJEBW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
637.6
MW (Da)
4.72
ALogP
10
HBA
2
HBD
117.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.22
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 | 10.22 | 10.22 | 0.1 | 2 |
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 | = | 0.06 | nM | 10.22 | Biochemical Protein-Protein Interaction Assay: Compounds were tested in biochemi... | - |
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 | IC50 | = | 0.06 | nM | 10.22 | Biochemical Protein-Protein Interaction Assay: Compounds were tested in biochemi... | - |
Data from ChEMBL 36 via Core Engine