Compound Detail
CHEMBL18550
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Basic Information
| ChEMBL ID | CHEMBL18550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICGAFQWZWKIUMN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
1.95
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.27 | 4.24 | 53300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 53300.0 | nM | 4.27 | Inhibition of HIV-1 integrase-mediated 3'-processing | 9111292 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 62400.0 | nM | 4.21 | Inhibition of HIV-1 integrase-mediated strand transfer | 9111292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111292 | 10.1021/jm960449w | Human immunodeficiency virus type 1 integrase | 2 |
Data from ChEMBL 36 via Core Engine