Compound Detail
CHEMBL1377648
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Basic Information
| ChEMBL ID | CHEMBL1377648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOEFKLPCCWJMBH-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
4.72
ALogP
5
HBA
1
HBD
54.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.29
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.62 | 5.82 | 239.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.29 | 5.29 | 5139.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.21 | 5.21 | 6171.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.34 | 4.34 | 45766.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 239.0 | nM | 6.62 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Streptococcus sp. 'group A' | EC50 | = | 5139.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 6171.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 9580.0 | nM | 5.02 | PubChem BioAssay. Dose Response confirmation of small molecule inhibitors origin... | - |
| Streptococcus | EC50 | = | 45766.0 | nM | 4.34 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine