Compound Detail
CHEMBL421353
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Basic Information
| ChEMBL ID | CHEMBL421353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEQYRLJGCMWLDP-JYRVWZFOSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
2.23
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.3 | 6.0717 | 50.0 | 6 |
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 50.0 | nM | 7.3 | Strand transfer inhibitory activity against HIV-1 integrase | 16250669 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 126.0 | nM | 6.9 | Inhibitory activity against HIV-1 integrase | 15006380 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 500.0 | nM | 6.3 | Inhibition of HIV-1 integrase catalytic activity | 15115398 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 540.0 | nM | 6.27 | Inhibition of HIV1 integrase strand transfer activity | 16821784 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 14500.0 | nM | 4.84 | Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhib... | 15115398 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of HIV1 integrase 3' processing activity | 16821784 |
| RNA-directed RNA polymerase | IC50 | = | 93000.0 | nM | 4.03 | Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as rad... | 16190757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115398 | 10.1021/jm030559k | Human immunodeficiency virus type 1 integrase | 3 |
| 16821784 | 10.1021/jm060193m | Human immunodeficiency virus type 1 integrase | 3 |
| 15006380 | 10.1016/j.bmcl.2004.01.027 | Human immunodeficiency virus type 1 integrase | 1 |
| 16250669 | 10.1021/jm050549e | Human immunodeficiency virus type 1 integrase | 1 |
| 16190757 | 10.1021/jm0504454 | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine