Compound Detail
CHEMBL86962
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Basic Information
| ChEMBL ID | CHEMBL86962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJTYQAYFNWYLFE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
3.82
ALogP
3
HBA
2
HBD
59.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kir3.1/Kir3.4 CHEMBL3038488 | EC50 | 6.16 | 6.16 | 690.0 | 2 |
| Kir3.1/Kir3.2 CHEMBL3038489 | EC50 | 5.85 | 5.85 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kir3.1/Kir3.4 | EC50 | = | 690.0 | nM | 6.16 | Activation of GIRK1/4 (unknown origin) | 23838260 |
| Kir3.1/Kir3.4 | EC50 | = | 690.0 | nM | 6.16 | Activation of GIRK1/4 (unknown origin) by cell-based thallium flux assay | 23916258 |
| Kir3.1/Kir3.2 | EC50 | = | 1400.0 | nM | 5.85 | Activation of GIRK1/2 (unknown origin) by thallium flux assay | 23838260 |
| Kir3.1/Kir3.2 | EC50 | = | 1400.0 | nM | 5.85 | Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay | 23916258 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23838260 | 10.1016/j.bmcl.2013.06.023 | Kir3.1/Kir3.4 | 2 |
| 23838260 | 10.1016/j.bmcl.2013.06.023 | Kir3.1/Kir3.2 | 2 |
| 23916258 | 10.1016/j.bmcl.2013.07.002 | Kir3.1/Kir3.4 | 2 |
| 23916258 | 10.1016/j.bmcl.2013.07.002 | Kir3.1/Kir3.2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL5665443 | Methyl-CpG-binding domain protein 4 | 1 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | G/T mismatch-specific thymine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Single-strand selective monofunctional uracil DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | N-glycosylase/DNA lyase | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease III-like protein 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 2 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Adenine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | DNA-3-methyladenine glycosylase | 1 |
| 15115396 | 10.1021/jm0304358 | MAP kinase p38 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 23838260 | 10.1016/j.bmcl.2013.06.023 | Kir3.2/Kir3.3 | 1 |
| 12086485 | 10.1021/jm020057r | MAP kinase p38 | 1 |
Data from ChEMBL 36 via Core Engine