Compound Detail
CHEMBL1982010
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Basic Information
| ChEMBL ID | CHEMBL1982010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIKZTEFIKRIYPY-XGJDHLGVSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
4.76
ALogP
4
HBA
1
HBD
53.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.92
IC50 3 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.93 | 5.93 | 1185.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.89 | 5.89 | 1298.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.74 | 5.74 | 1831.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.3 | 5.3 | 4970.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.21 | 5.21 | 6110.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.1 | 7920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 120.0 | nM | 6.92 | PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... | - |
| Streptokinase A | EC50 | = | 1185.0 | nM | 5.93 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 1298.0 | nM | 5.89 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1831.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 4970.0 | nM | 5.3 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| X-box-binding protein 1 | IC50 | = | 6110.0 | nM | 5.21 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| Unchecked | IC50 | = | 7920.0 | nM | 5.1 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
Data from ChEMBL 36 via Core Engine