Compound Detail
CHEMBL6040188
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CC(C)C[C@H](NCc1cc(Cl)c(OCc2cccc(-c3ccccc3)c2Br)cc1OCc1cccnc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL6040188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTLJJYBHNRCALS-NDEPHWFRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
624.0
MW (Da)
7.91
ALogP
5
HBA
2
HBD
80.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.21
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 | 7.21 | 7.21 | 61.0 | 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 | = | 61.0 | nM | 7.21 | In Vitro Activity Assay: In vitro activity evaluation: Cisbio PD-1/PD-L1 binding... | - |
Data from ChEMBL 36 via Core Engine