Compound Detail
CHEMBL5433867
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CCC12CC(NC(=O)[C@@H]3Cc4sc5c(c4C3)[C@H](c3ccccc3Cl)NCc3nnc(C)n3-5)(C1)C2
Basic Information
| ChEMBL ID | CHEMBL5433867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXVBMXMJYXTVHU-IBYLJOCYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
494.1
MW (Da)
4.65
ALogP
6
HBA
2
HBD
71.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL250 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 0.5 | nM | 9.3 | Antagonist activity at human PAFR expressed in HEK293 cells assessed as inhibiti... | 37312843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37312843 | 10.1021/acsmedchemlett.3c00194 | Platelet-activating factor receptor | 1 |
Data from ChEMBL 36 via Core Engine