Compound Detail
CHEMBL5273903
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CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)[C@H](O)CC(C)(C)C)[C@@H](C)C3)nc12
Basic Information
| ChEMBL ID | CHEMBL5273903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBPOZTWIDOKOKH-MHECFPHRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
4.13
ALogP
6
HBA
1
HBD
91.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 2 CHEMBL5963 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 2 | IC50 | = | 0.7 | nM | 9.15 | Inhibition of PAR2 expressed in human HT-29 cells incubated for 30 mins by FLIPR... | 34607244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34607244 | 10.1016/j.ejmech.2021.113867 | Proteinase-activated receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine