Compound Detail
CHEMBL1464647
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Basic Information
| ChEMBL ID | CHEMBL1464647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKUVBNDJMHSUHC-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
6.24
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.18
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.25
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.25 | 6.25 | 562.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 6.05 | 6.05 | 890.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.16 | 5.16 | 6933.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.16 | 5.08 | 6950.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 562.0 | nM | 6.25 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 890.0 | nM | 6.05 | PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... | - |
| Streptococcus | EC50 | = | 6933.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | IC50 | = | 6950.0 | nM | 5.16 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| Unchecked | IC50 | = | 10100.0 | nM | 5.0 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
Data from ChEMBL 36 via Core Engine