Compound Detail
CHEMBL197014
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Basic Information
| ChEMBL ID | CHEMBL197014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLWAJOFPYWTUTE-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
2.26
ALogP
6
HBA
3
HBD
131.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.8
EC50 3 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.2 | 5.2 | 6341.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.07 | 5.07 | 8577.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.8 | 4.6 | 16000.0 | 4 |
| Streptococcus CHEMBL612313 | EC50 | 4.54 | 4.54 | 28584.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 6341.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 8577.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of strand transfer catalytic activity HIV1 integrase | 16335925 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of HIV1 integrase strand transfer activity by PAGE | 19026554 |
| Streptococcus | EC50 | = | 28584.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of 3'-processing catalytic activity HIV1 integrase | 16335925 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of HIV1 integrase 3' processing activity by PAGE | 19026554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16335925 | 10.1021/jm050837a | Human immunodeficiency virus type 1 integrase | 2 |
| 19026554 | 10.1016/j.bmc.2008.10.088 | Human immunodeficiency virus type 1 integrase | 2 |
| 16335925 | 10.1021/jm050837a | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine