Compound Detail
CHEMBL6019001
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O=C(O)[C@H](Cc1ccc(O)cc1)NCc1cc(Cl)c(OCc2cccc(-c3ccccc3)c2Br)cc1OCc1cccnc1
Basic Information
| ChEMBL ID | CHEMBL6019001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHFBGSHQAHSYGD-HKBQPEDESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
674.0
MW (Da)
7.81
ALogP
6
HBA
3
HBD
100.9
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
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 | 6.39 | 6.39 | 406.0 | 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 | = | 406.0 | nM | 6.39 | In Vitro Activity Assay: In vitro activity evaluation: Cisbio PD-1/PD-L1 binding... | - |
Data from ChEMBL 36 via Core Engine