Compound Detail
CHEMBL1497792
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Basic Information
| ChEMBL ID | CHEMBL1497792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMOPKPJDBNRMRC-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
1.84
ALogP
4
HBA
3
HBD
71.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.44
EC50 3 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.49 | 5.49 | 3265.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.44 | 5.415 | 3600.0 | 2 |
| H9c2 CHEMBL614576 | IC50 | 5.3 | 5.3 | 5058.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.22 | 5.22 | 6083.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.19 | 5.19 | 6495.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 3265.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 3600.0 | nM | 5.44 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 4040.0 | nM | 5.39 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| H9c2 | IC50 | = | 5058.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Streptokinase A | EC50 | = | 6083.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 6495.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Bromodomain-containing protein 4 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of BRD4 BD1 (unknown origin) using biotin labelled NeC: SGRG-K(Ac)-GG... | 30529546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30529546 | 10.1016/j.ejmech.2018.11.018 | Bromodomain-containing protein 4 | 3 |
Data from ChEMBL 36 via Core Engine