Compound Detail
CHEMBL288097
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Basic Information
| ChEMBL ID | CHEMBL288097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZPBVSQWSQZLOP-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
3.95
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.22 | 6.22 | 600.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 600.0 | nM | 6.22 | Inhibitory activity against HIV-1 integrase | 15006380 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 600.0 | nM | 6.22 | Compound was tested for its ability to inhibit the strand transfer of the integr... | 12570367 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 600.0 | nM | 6.22 | Strand transfer inhibitory activity against HIV-1 integrase | 16250669 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of HIV-1 integrase DTG-resistant R263K mutant | 37827528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12570367 | 10.1021/jm025553u | MT4 | 2 |
| 15006380 | 10.1016/j.bmcl.2004.01.027 | Human immunodeficiency virus type 1 integrase | 1 |
| 12570367 | 10.1021/jm025553u | Human immunodeficiency virus type 1 integrase | 1 |
| 16250669 | 10.1021/jm050549e | Human immunodeficiency virus type 1 integrase | 1 |
| 37827528 | 10.1021/acs.jmedchem.3c01280 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine