Compound Detail
CHEMBL1438889
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Basic Information
| ChEMBL ID | CHEMBL1438889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXQHJEJEQMJASD-PDGQHHTCSA-N |
6
Targets
17
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
3.63
ALogP
7
HBA
2
HBD
105.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 15 meas. best 6.51
EC50 2 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.51 | 5.7267 | 312.0 | 3 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 5.97 | 5.51 | 1080.0 | 10 |
| Tyrosine-protein phosphatase non-receptor type 12 CHEMBL3236 | IC50 | 5.95 | 5.95 | 1130.0 | 1 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 5.1 | 5.1 | 7890.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | EC50 | 5.03 | 5.03 | 9360.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.84 | 4.84 | 14600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine