Compound Detail
CHEMBL1650617
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Basic Information
| ChEMBL ID | CHEMBL1650617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFPVFWUVBGEVHR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
170.1
MW (Da)
0.35
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL1169598 | IC50 | 5.5 | 5.48 | 3162.3 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.5 | 5.48 | 3162.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3162.28 | nM | 5.5 | Inhibition of Influenza A (A/California/04/2009) (H1N1) clinical isolate N-termi... | 30351002 |
| Polymerase acidic protein | IC50 | = | 3162.28 | nM | 5.5 | Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease... | 27291165 |
| Unchecked | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of Influenza A (A/California/04/2009) (H1N1) clinical isolate N-termi... | 30351002 |
| Polymerase acidic protein | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease... | 27291165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Unchecked | 4 |
| 27291165 | 10.1021/acs.jmedchem.6b00628 | Polymerase acidic protein | 4 |
| 21189019 | 10.1021/jm101266s | Nitric oxide synthase, inducible | 1 |
| 21189019 | 10.1021/jm101266s | Matrix metalloproteinase-9 | 1 |
| 21189019 | 10.1021/jm101266s | Tyrosinase | 1 |
| 21189019 | 10.1021/jm101266s | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 21189019 | 10.1021/jm101266s | Stromelysin-1 | 1 |
| 21189019 | 10.1021/jm101266s | Lethal factor | 1 |
| 21189019 | 10.1021/jm101266s | Neutrophil collagenase | 1 |
| 21189019 | 10.1021/jm101266s | 72 kDa type IV collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Interstitial collagenase | 1 |
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Arginase-1 | 1 |
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Methionine aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine