Compound Detail
CHEMBL1505922
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Basic Information
| ChEMBL ID | CHEMBL1505922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFLUXWGKDFCODQ-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
4.59
ALogP
5
HBA
2
HBD
105.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.37
IC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.37 | 5.155 | 4250.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.37 | 5.335 | 4260.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.3 | 5.3 | 4958.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.03 | 5.03 | 9430.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.6 | 4.6 | 25195.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 4260.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... | - |
| Streptokinase A | EC50 | = | 4250.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 4958.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 5050.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... | - |
| X-box-binding protein 1 | IC50 | = | 9430.0 | nM | 5.03 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| Streptokinase A | EC50 | = | 11486.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Streptococcus | EC50 | = | 25195.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine