Compound Detail
CHEMBL5898122
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Basic Information
| ChEMBL ID | CHEMBL5898122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSINNYVVNXTCSP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
2.80
ALogP
5
HBA
3
HBD
110.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lys-gingipain CHEMBL3308977 | IC50 | 10.1 | 10.01 | 0.1 | 2 |
| Unchecked CHEMBL612545 | IC50 | 10.1 | 10.01 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.08 | nM | 10.1 | Inhibition of Lysine Gingipain: The capacities of compounds of the present inven... | - |
| Lys-gingipain | IC50 | = | 0.08 | nM | 10.1 | Inhibition Activity Assay: The capacities of compounds of the present invention ... | - |
| Unchecked | IC50 | = | 0.12 | nM | 9.92 | Inhibition of Lysine Gingipain: The capacities of compounds of the present inven... | - |
| Lys-gingipain | IC50 | = | 0.12 | nM | 9.92 | Inhibition Activity Assay: The capacities of compounds of the present invention ... | - |
Data from ChEMBL 36 via Core Engine