Compound Detail
CHEMBL3719256
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CCN(CC#N)C(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1
Basic Information
| ChEMBL ID | CHEMBL3719256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKJHOJZBPCAYMD-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
600.7
MW (Da)
5.91
ALogP
12
HBA
0
HBD
128.0
PSA (Ų)
0.18
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.44
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 4 CHEMBL4691 | EC50 | 9.44 | 9.44 | 0.4 | 1 |
| Proteinase-activated receptor 4 CHEMBL4691 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 4 | EC50 | = | 0.36 | nM | 9.44 | Antagonist activity against human PAR4 expressed in HEK293 cells assessed as red... | - |
| Proteinase-activated receptor 4 | IC50 | = | 1.0 | nM | 9.0 | Antagonist activity against PAR4 in human platelet rich plasma assessed as inhib... | - |
Data from ChEMBL 36 via Core Engine