Compound Detail
CHEMBL5842891
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
Cc1c(NC(=O)c2nc3c(n2C)CCN(C2CC(F)(F)C2)C3)cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C(=O)O)C4)cc(C#N)c3o2)c1C
Basic Information
| ChEMBL ID | CHEMBL5842891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFJVFVYDVSWXBY-VWLOTQADSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
719.8
MW (Da)
6.70
ALogP
9
HBA
2
HBD
140.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.26
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 | 7.26 | 6.88 | 55.0 | 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 | IC50 | = | 55.0 | nM | 7.26 | PD-1/PD-L1 Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay: The assa... | - |
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 | IC50 | = | 55.0 | nM | 7.26 | PD-1/PD-L1 Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay: The assa... | - |
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 | IC50 | = | 750.0 | nM | 6.12 | TBD: TBD | - |
Data from ChEMBL 36 via Core Engine