Compound Detail
CHEMBL79857
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Basic Information
| ChEMBL ID | CHEMBL79857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEYIMQVTPXPUHA-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
112.1
MW (Da)
0.35
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL1169598 | IC50 | 4.65 | 4.625 | 22500.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.65 | 4.625 | 22500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 22500.0 | nM | 4.65 | Inhibition of Influenza A (A/California/04/2009) (H1N1) clinical isolate N-termi... | 30351002 |
| Polymerase acidic protein | IC50 | = | 22500.0 | nM | 4.65 | Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease... | 27291165 |
| Unchecked | IC50 | = | 25118.86 | nM | 4.6 | Inhibition of Influenza A (A/California/04/2009) (H1N1) clinical isolate N-termi... | 30351002 |
| Polymerase acidic protein | IC50 | = | 25118.86 | nM | 4.6 | Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease... | 27291165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8809155 | 10.1021/jm960220g | ADMET | 4 |
| 27291165 | 10.1021/acs.jmedchem.6b00628 | Polymerase acidic protein | 4 |
| 8355246 | 10.1021/jm00069a002 | No relevant target | 2 |
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Unchecked | 2 |
| 21189019 | 10.1021/jm101266s | Stromelysin-1 | 1 |
| 21189019 | 10.1021/jm101266s | 72 kDa type IV collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Interstitial collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Nitric oxide synthase, inducible | 1 |
| 21189019 | 10.1021/jm101266s | Neutrophil collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 21189019 | 10.1021/jm101266s | Tyrosinase | 1 |
| 21189019 | 10.1021/jm101266s | Matrix metalloproteinase-9 | 1 |
| 21189019 | 10.1021/jm101266s | Lethal factor | 1 |
| 36105338 | 10.1021/acsmedchemlett.2c00256 | Glutaminyl-peptide cyclotransferase | 1 |
| 36682173 | 10.1016/j.ejmech.2023.115120 | No relevant target | 1 |
| 36682173 | 10.1016/j.ejmech.2023.115120 | BV-2 | 1 |
Data from ChEMBL 36 via Core Engine