Compound Detail
CHEMBL369471
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Basic Information
| ChEMBL ID | CHEMBL369471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXJDDTDNGCHIGR-QWHCGFSZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
2.08
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.27 | 4.97 | 5400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 6.0 | nM | 8.22 | Inhibition of human placental microsome CYP19 | 20413308 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 5400.0 | nM | 5.27 | Inhibitory concentration against Strand transfer by HIV -1 Integrase | 8568830 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 21400.0 | nM | 4.67 | Inhibitory concentration against 3'-processing by HIV -1 Integrase | 8568830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568830 | 10.1021/jm950387u | Human immunodeficiency virus type 1 integrase | 4 |
| 20413308 | 10.1016/j.bmcl.2010.03.113 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine