Compound Detail
CHEMBL1371816
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Basic Information
| ChEMBL ID | CHEMBL1371816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXRVNDCFCHMEAR-XDHOZWIPSA-N |
6
Targets
17
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.9
MW (Da)
5.16
ALogP
4
HBA
2
HBD
99.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 6.19
EC50 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.19 | 5.3767 | 651.0 | 3 |
| Tyrosine-protein phosphatase non-receptor type 12 CHEMBL3236 | IC50 | 5.54 | 5.54 | 2910.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 5.42 | 5.139 | 3770.0 | 10 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.96 | 4.96 | 10920.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.81 | 4.81 | 15600.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | EC50 | 4.68 | 4.68 | 20800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine