Compound Detail
CHEMBL1993291
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Basic Information
| ChEMBL ID | CHEMBL1993291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEHOUGILTBBWID-DJKKODMXSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
2.78
ALogP
7
HBA
1
HBD
116.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.99
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.99 | 6.99 | 102.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.41 | 5.325 | 3921.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.28 | 5.28 | 5272.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.27 | 5.27 | 5413.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.99 | 4.99 | 10311.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 102.0 | nM | 6.99 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Streptokinase A | EC50 | = | 3921.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 5272.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 5413.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Streptokinase A | EC50 | = | 5818.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Streptococcus | EC50 | = | 10311.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine