Compound Detail
CHEMBL5885552
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Basic Information
| ChEMBL ID | CHEMBL5885552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKYGCXJKUCJEFU-PBHICJAKSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
4.72
ALogP
6
HBA
1
HBD
81.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.162 | 20.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Electrophysiological Assay: Current record was obtained by an automated patch cl... | - |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Electrophysiological Assay: Current record was obtained by an automated patch cl... | - |
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Electrophysiological Assay: Current record was obtained by an automated patch cl... | - |
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Electrophysiological Assay: Current record was obtained by an automated patch cl... | - |
| Unchecked | IC50 | = | 270.0 | nM | 6.57 | Electrophysiological Assay: Current record was obtained by an automated patch cl... | - |
Data from ChEMBL 36 via Core Engine