Compound Detail
CHEMBL1898479
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Basic Information
| ChEMBL ID | CHEMBL1898479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAPOLWKWHTVJKA-XSFVSMFZSA-N |
7
Targets
11
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.83
ALogP
7
HBA
2
HBD
76.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 5.74
EC50 2 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 5.23 | 5.23 | 5830.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.17 | 4.93 | 6690.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.0 | 4.65 | 9990.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 4.76 | 4.76 | 17200.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.73 | 4.71 | 18751.0 | 2 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 4.67 | 4.67 | 21556.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine