Compound Detail
CHEMBL3954641
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Cc1nnc(C[C@@]23CC(F)(F)[C@@H](C)[C@H](/C=C/c4ccc(-c5ccccc5Cl)cn4)C2[C@@H](C)OC3=O)o1
Basic Information
| ChEMBL ID | CHEMBL3954641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKZYFUACLBVPMK-LWMBWWQGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
514.0
MW (Da)
6.19
ALogP
6
HBA
0
HBD
78.1
PSA (Ų)
0.38
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 1 CHEMBL3974 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 1 | IC50 | = | 0.9 | nM | 9.05 | FLIPR Assay: HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/stre... | - |
Data from ChEMBL 36 via Core Engine