Compound Detail
CHEMBL60081
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
O=C(O)C(F)(F)F.O=C(c1c[nH]c2c(OCc3ccccc3)cccc12)[C@@H]1CSC(c2cccnc2)N1
Basic Information
| ChEMBL ID | CHEMBL60081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OICQTBYLLXWDBN-BAHZNLOQSA-N |
| Parent Compound | CHEMBL1179099 |
| Active Moiety | CHEMBL1179099 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.73
ALogP
5
HBA
2
HBD
67.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | Ki | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | Ki | = | 1.1 | nM | 8.96 | Antagonist activity against platelet activating factor (PAF) receptor in rabbit ... | 8027984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8027984 | 10.1021/jm00039a015 | Platelet-activating factor receptor | 2 |
| 8027984 | 10.1021/jm00039a015 | Mus musculus | 1 |
| 8027984 | 10.1021/jm00039a015 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine