Compound Detail
CHEMBL1518265
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Basic Information
| ChEMBL ID | CHEMBL1518265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFQCBFLKVRWDCF-DHDCSXOGSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
415.9
MW (Da)
4.61
ALogP
5
HBA
1
HBD
54.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.07
IC50 1 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus CHEMBL612313 | EC50 | 6.07 | 6.07 | 855.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 5.91 | 5.91 | 1240.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.89 | 5.89 | 1301.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.81 | 5.81 | 1537.3 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.74 | 5.74 | 1801.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus | EC50 | = | 855.0 | nM | 6.07 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 1240.0 | nM | 5.91 | PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... | - |
| Streptokinase A | EC50 | = | 1301.0 | nM | 5.89 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 1537.3 | nM | 5.81 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1801.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine