Compound Detail
CHEMBL188987
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Basic Information
| ChEMBL ID | CHEMBL188987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOMWTDFUWKTRKL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
4.90
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | Ki | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | Ki | = | 20.0 | nM | 7.7 | Dissociation constant for binding to inactivated state of rat brain NaIIa (rNav1... | 15293999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15293999 | 10.1021/jm040048d | Nucleic Acid | 2 |
| 15293999 | 10.1021/jm040048d | Rattus norvegicus | 2 |
| 15293999 | 10.1021/jm040048d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine