Compound Detail
CHEMBL270717
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Basic Information
| ChEMBL ID | CHEMBL270717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNCDBLPXXVWRGR-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
331.7
MW (Da)
3.61
ALogP
2
HBA
2
HBD
70.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.36
EC50 3 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.36 | 7.36 | 43.5 | 3 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.09 | 6.09 | 805.0 | 2 |
| MT4 CHEMBL388 | EC50 | 6.09 | 6.09 | 805.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 43.5 | nM | 7.36 | Inhibition of recombinant HIV1 integrase strand transfer activity | 16509568 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 43.5 | nM | 7.36 | Inhibition of HIV1 integrase strand transfer activity | 18281931 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 43.5 | nM | 7.36 | Inhibition of HIV-1 integrase strand transfer activity | 38781921 |
| MT4 | EC50 | = | 805.2 | nM | 6.09 | Antiviral activity against HIV1 3b in human MT4 cells | 16509568 |
| Human immunodeficiency virus 1 | EC50 | = | 805.0 | nM | 6.09 | Antiviral activity against HIV1 in MT4 cells assessed as inhibition of viral-ind... | 18281931 |
| Human immunodeficiency virus 1 | EC50 | = | 805.2 | nM | 6.09 | Antiviral activity against HIV-1 infected in human MT4 cells assessed as inhibit... | 38781921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509568 | 10.1021/jm0600139 | MT4 | 2 |
| 16509568 | 10.1021/jm0600139 | Human immunodeficiency virus type 1 integrase | 1 |
| 18281931 | 10.1021/jm070609b | Human immunodeficiency virus type 1 integrase | 1 |
| 18281931 | 10.1021/jm070609b | Human immunodeficiency virus 1 | 1 |
| - | 10.1007/s00044-011-9593-5 | Human immunodeficiency virus type 1 integrase | 1 |
| 38781921 | 10.1016/j.ejmech.2024.116364 | Human immunodeficiency virus type 1 integrase | 1 |
| 38781921 | 10.1016/j.ejmech.2024.116364 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine