Compound Detail
CHEMBL1990772
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Basic Information
| ChEMBL ID | CHEMBL1990772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRNOUCSASKXWNP-FMCGGJTJSA-N |
8
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
3.35
ALogP
5
HBA
2
HBD
95.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.23
EC50 3 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.23 | 7.23 | 58.8 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.99 | 5.99 | 1028.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.8 | 5.8 | 1570.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.68 | 5.68 | 2107.6 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 5.31 | 5.31 | 4870.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.26 | 5.26 | 5430.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.0 | 5.0 | 10081.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.92 | 4.92 | 12040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine