Compound Detail
CHEMBL1412087
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CCOc1cc(/C=C2\C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2c2ccccc2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL1412087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYGHMWMQMAZMDJ-STZFKDTASA-N |
9
Targets
9
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
546.5
MW (Da)
6.51
ALogP
6
HBA
1
HBD
75.0
PSA (Ų)
0.28
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.6
EC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.75 | 5.75 | 1765.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.75 | 5.75 | 1780.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.6 | 5.6 | 2537.9 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.44 | 5.44 | 3667.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.36 | 5.36 | 4350.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.29 | 5.29 | 5080.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 5.16 | 5.16 | 6970.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.52 | 4.52 | 30100.0 | 1 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 4.36 | 4.36 | 43833.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine