Compound Detail
CHEMBL1572510
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Basic Information
| ChEMBL ID | CHEMBL1572510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKJUYDIDBIUBLJ-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
2.53
ALogP
8
HBA
2
HBD
106.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.71
IC50 1 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.71 | 6.71 | 195.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.56 | 5.56 | 2769.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.3 | 5.3 | 5055.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.05 | 4.9967 | 8921.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 195.0 | nM | 6.71 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 2769.0 | nM | 5.56 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Streptococcus | EC50 | = | 5055.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | EC50 | = | 8921.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 9713.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 11739.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
Data from ChEMBL 36 via Core Engine