Compound Detail
CHEMBL5951677
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CC(O)C(C)Oc1cc(C(=O)N[C@H](C)c2cnc(C(F)(F)F)nc2)cc(-c2ncc(Cl)s2)c1
Basic Information
| ChEMBL ID | CHEMBL5951677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTLJKKFADUZLKR-VOMCLLRMSA-N |
4
Targets
34
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
500.9
MW (Da)
4.91
ALogP
7
HBA
2
HBD
97.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 34 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 8.4 | 8.2675 | 4.0 | 16 |
| P2X purinoceptor 2 CHEMBL2531 | IC50 | 6.91 | 6.8125 | 123.0 | 8 |
| P2X2/P2X3 heterotrimeric receptor CHEMBL3831281 | IC50 | 6.91 | 6.8125 | 123.0 | 8 |
| Cytochrome P450 2C8 CHEMBL3721 | IC50 | 4.72 | 4.72 | 19000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine