Compound Detail
CHEMBL22197
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Basic Information
| ChEMBL ID | CHEMBL22197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSUKNFVVHKLNHE-YVMONPNESA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
271.1
MW (Da)
2.00
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kynurenine 3-monooxygenase CHEMBL3457 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.7 | 5.6067 | 2000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kynurenine 3-monooxygenase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of Kynurenine-3-hydroxylase enzyme isolated from the rat liver | 10633043 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory effect on strand transfer of proximal DNA into host DNA in an extrace... | 12109903 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2500.0 | nM | 5.6 | Strand transfer inhibitory activity against HIV-1 integrase | 16250669 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 3000.0 | nM | 5.52 | Inhibitory effect on strand transfer of proximal DNA into host DNA in an extrace... | 12109903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109903 | 10.1021/jm020037p | Human immunodeficiency virus type 1 integrase | 3 |
| 12109903 | 10.1021/jm020037p | NON-PROTEIN TARGET | 2 |
| 10633043 | 10.1021/jm990396t | Kynurenine 3-monooxygenase | 1 |
| 16250669 | 10.1021/jm050549e | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine