Compound Detail
CHEMBL5187308
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CCCC(=O)c1cc(C#N)c(N(C(=O)C2CCNCC2)S(=O)(=O)Cc2cccc(F)c2)nc1C
Basic Information
| ChEMBL ID | CHEMBL5187308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUJGVEFQIGEKKA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
3.25
ALogP
7
HBA
1
HBD
120.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 12 CHEMBL2001 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 12 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of 2-MeS-ADP induced P2Y12 (unknown origin) signalling expressed in C... | 34731765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34731765 | 10.1016/j.ejmech.2021.113924 | P2Y purinoceptor 12 | 1 |
Data from ChEMBL 36 via Core Engine