Compound Detail
CHEMBL1448732
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Basic Information
| ChEMBL ID | CHEMBL1448732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRIPCFVHGQWMAI-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
4.24
ALogP
8
HBA
1
HBD
86.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.57
IC50 3 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.19 | 5.7933 | 650.0 | 3 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.57 | 5.57 | 2667.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.29 | 5.29 | 5154.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.09 | 5.09 | 8123.0 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 650.0 | nM | 6.19 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 1300.0 | nM | 5.89 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Streptokinase A | EC50 | = | 2667.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | PubChem BioAssay. Dose Response confirmation of small molecule inhibitors origin... | - |
| Streptococcus sp. 'group A' | EC50 | = | 5154.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 8123.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Neurotensin receptor type 1 | EC50 | = | 26000.0 | nM | 4.58 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
Data from ChEMBL 36 via Core Engine