Compound Detail
CHEMBL3198912
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Basic Information
| ChEMBL ID | CHEMBL3198912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRPDZGHUTLBFJI-CIAFOILYSA-N |
7
Targets
19
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
2.56
ALogP
5
HBA
3
HBD
85.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 16 meas. best 6.99
IC50 3 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.99 | 5.935 | 102.0 | 8 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.05 | 5.4867 | 895.0 | 3 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.15 | 5.15 | 7140.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.09 | 5.09 | 8164.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.92 | 4.92 | 12020.0 | 1 |
| Serine/threonine-protein phosphatase CHEMBL1293271 | EC50 | 4.74 | 4.74 | 18232.0 | 1 |
| BJ CHEMBL614358 | EC50 | 4.65 | 4.65 | 22400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.02 | 4.02 | 95290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine