Compound Detail
CHEMBL4849404
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Basic Information
| ChEMBL ID | CHEMBL4849404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXJHMPCGGVMMRE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
3.88
ALogP
4
HBA
1
HBD
85.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pannexin-1 CHEMBL4879520 | IC50 | 4.64 | 4.64 | 23100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pannexin-1 | IC50 | = | 23100.0 | nM | 4.64 | Inhibition of mouse Panx-1 expressed in Xenopus laevis oocytes assessed as inhib... | 34174741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34174741 | 10.1016/j.ejmech.2021.113650 | Pannexin-1 | 2 |
Data from ChEMBL 36 via Core Engine