Compound Detail
CHEMBL1306480
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Basic Information
| ChEMBL ID | CHEMBL1306480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYMMQWCIFQJDNY-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
4.21
ALogP
4
HBA
1
HBD
25.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.5
IC50 1 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 5.61 | 5.61 | 2478.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.5 | 5.5 | 3185.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.35 | 5.35 | 4427.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.19 | 4.19 | 64882.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 2478.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Counterscreen for agonists of nuclear receptor subfamily 2, gr... | - |
| Streptokinase A | EC50 | = | 3185.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 4427.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 64882.0 | nM | 4.19 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine