Compound Detail
CHEMBL1471932
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NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(C4CCS(=O)(=O)C4)C3=O)o2)cc1
Basic Information
| ChEMBL ID | CHEMBL1471932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOTHBZNIJDYYPY-SXGWCWSVSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
1.98
ALogP
8
HBA
1
HBD
127.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.3
IC50 2 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 5.88 | 5.88 | 1320.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.73 | 5.73 | 1853.4 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.3 | 5.3 | 4950.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.13 | 5.13 | 7357.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.75 | 4.75 | 17600.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | EC50 | 4.53 | 4.53 | 29400.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.49 | 4.49 | 32157.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine