Compound Detail
CHEMBL320261
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Basic Information
| ChEMBL ID | CHEMBL320261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMKPCVNGEXFHKJ-HMAPJEAMSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
4.40
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.23 | 6.85 | 59.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 59.0 | nM | 7.23 | Inhibitory activity against HIV-1 integrase | 15006380 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 100.0 | nM | 7.0 | Strand transfer inhibitory activity against HIV-1 integrase | 16250669 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 480.0 | nM | 6.32 | Inhibitory effect on strand transfer of proximal DNA into host DNA in an extrace... | 12109903 |
| Unchecked | IC50 | = | 2300.0 | nM | 5.64 | Inhibitory concentration by single cycle replication assay using envelope defici... | 12109903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109903 | 10.1021/jm020037p | Human immunodeficiency virus type 1 integrase | 2 |
| 12109903 | 10.1021/jm020037p | NON-PROTEIN TARGET | 2 |
| 12109903 | 10.1021/jm020037p | Unchecked | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine