Compound Detail
CHEMBL4110677
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Basic Information
| ChEMBL ID | CHEMBL4110677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVPHCPSHUAUQSI-FMDGEEDCSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
-0.47
ALogP
6
HBA
3
HBD
74.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein O-GlcNAcase CHEMBL5921 | Ki | 7.16 | 7.16 | 69.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein O-GlcNAcase | Ki | = | 70.0 | nM | 7.16 | null: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO... | - |
| Protein O-GlcNAcase | Ki | = | 69.0 | nM | 7.16 | Inhibition of recombinant human OGA | 31487175 |
| Protein O-GlcNAcase | Ki | = | 70.0 | nM | 7.16 | Inhibition Assay: Enzymatic reactions were carried out in a reaction containing ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31487175 | 10.1021/acs.jmedchem.9b01090 | Protein O-GlcNAcase | 1 |
| 31487175 | 10.1021/acs.jmedchem.9b01090 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 31487175 | 10.1021/acs.jmedchem.9b01090 | Sodium channel protein type 5 subunit alpha | 1 |
| 31487175 | 10.1021/acs.jmedchem.9b01090 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 31487175 | 10.1021/acs.jmedchem.9b01090 | Cytochrome P450 3A4 | 1 |
| 31487175 | 10.1021/acs.jmedchem.9b01090 | Cytochrome P450 2D6 | 1 |
| 31487175 | 10.1021/acs.jmedchem.9b01090 | Cytochrome P450 2C9 | 1 |
| 31487175 | 10.1021/acs.jmedchem.9b01090 | Nuclear receptor subfamily 1 group I member 2 | 1 |
Data from ChEMBL 36 via Core Engine