Compound Detail
CHEMBL129148
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Basic Information
| ChEMBL ID | CHEMBL129148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZODVJPLOFJTJZ-VOMDNODZSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.73
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.05 | 6.05 | 891.2 | 2 |
| RAW264.7 CHEMBL612557 | IC50 | 5.03 | 5.03 | 9430.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.88 | 4.88 | 13270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 900.0 | nM | 6.05 | Compound concentration required to reduce HIV-1 Integrase 3'-processing activity... | 9767632 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 891.25 | nM | 6.05 | Inhibitory activity against HIV-1 Integrase (HIV-1-IN) | 11831895 |
| RAW264.7 | IC50 | = | 9430.0 | nM | 5.03 | Anti-inflammatory activity in Mus musculus (mouse) RAW264.7 cells assessed as in... | - |
| NON-PROTEIN TARGET | IC50 | = | 13270.0 | nM | 4.88 | Antioxidant activity assessed as DPPH scavenging activity after 30 min by spectr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22743086 | 10.1016/j.bmc.2012.05.062 | MDCK | 3 |
| 9767632 | 10.1021/jm9707232 | Human immunodeficiency virus type 1 integrase | 1 |
| 9767632 | 10.1021/jm9707232 | MT4 | 1 |
| 9767632 | 10.1021/jm9707232 | KB | 1 |
| 9767632 | 10.1021/jm9707232 | ADMET | 1 |
| 11831895 | 10.1021/jm010399h | Human immunodeficiency virus type 1 integrase | 1 |
| 17348637 | 10.1021/jm060943s | Histone acetyltransferase p300 | 1 |
| - | 10.1007/s00044-010-9521-0 | NON-PROTEIN TARGET | 1 |
| - | 10.1007/s00044-010-9521-0 | RAW264.7 | 1 |
| 23611769 | 10.1016/j.bmc.2013.03.057 | RAW264.7 | 1 |
| 29126723 | 10.1016/j.ejmech.2017.09.028 | PC-12 | 1 |
| 29126723 | 10.1016/j.ejmech.2017.09.028 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine