Compound Detail
CHEMBL3197459
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Basic Information
| ChEMBL ID | CHEMBL3197459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMFHUDPQIPHXIT-SRZZPIQSSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
438.2
MW (Da)
5.01
ALogP
7
HBA
1
HBD
106.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.33
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.33 | 6.33 | 466.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.15 | 6.15 | 703.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 6.03 | 6.03 | 934.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.18 | 5.18 | 6570.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.58 | 4.555 | 26080.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 466.0 | nM | 6.33 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 703.0 | nM | 6.15 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 934.0 | nM | 6.03 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | IC50 | = | 6570.0 | nM | 5.18 | PubChem BioAssay. Dose Response confirmation of small molecule inhibitors origin... | - |
| Unchecked | EC50 | = | 26080.0 | nM | 4.58 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 29701.0 | nM | 4.53 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine