Compound Detail
CHEMBL512021
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Basic Information
| ChEMBL ID | CHEMBL512021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDBYEHYJCQSIJI-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
1.78
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.05 | 6.3867 | 90.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 90.0 | nM | 7.05 | Inhibition of HIV1 integrase | 19053754 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of HIV1 integrase strand transfer activity | 19053754 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 7790.0 | nM | 5.11 | Inhibition of HIV1 integrase 3'-end processing activity | 19053754 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053754 | 10.1021/jm8007085 | Human immunodeficiency virus type 1 integrase | 4 |
| 19053754 | 10.1021/jm8007085 | Unchecked | 2 |
| 19053754 | 10.1021/jm8007085 | Human immunodeficiency virus 1 | 1 |
| 19053754 | 10.1021/jm8007085 | MT4 | 1 |
| 19053754 | 10.1021/jm8007085 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine