Compound Detail
CHEMBL1499828
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Basic Information
| ChEMBL ID | CHEMBL1499828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHEVAESBVDQASK-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
6.49
ALogP
2
HBA
2
HBD
24.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.64
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 6.0 | 6.0 | 998.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.64 | 5.64 | 2277.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.62 | 5.62 | 2404.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.5 | 5.5 | 3149.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.39 | 4.39 | 41100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 998.0 | nM | 6.0 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Streptokinase A | EC50 | = | 2277.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2404.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 3149.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 41100.0 | nM | 4.39 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine