Compound Detail
CHEMBL1479657
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Basic Information
| ChEMBL ID | CHEMBL1479657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMFRTESAWGAGAJ-UHFFFAOYSA-N |
9
Targets
11
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
5.10
ALogP
3
HBA
1
HBD
55.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.04
EC50 3 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 6.04 | 5.86 | 919.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.73 | 5.73 | 1850.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.69 | 5.69 | 2029.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.55 | 5.55 | 2810.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.55 | 5.55 | 2808.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.49 | 5.49 | 3230.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.29 | 5.11 | 5120.0 | 2 |
| Caspase-3 CHEMBL2334 | IC50 | 4.63 | 4.63 | 23600.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.63 | 4.63 | 23549.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine