Compound Detail
CHEMBL200144
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Basic Information
| ChEMBL ID | CHEMBL200144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBMMBUWTQUXOCE-LZYBPNLTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
1
Known Names
Molecular Properties
320.1
MW (Da)
2.31
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of human Flag-tagged LEDGF interaction to His6-tagged HIV1 integrase ... | 23306052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17548496 | 10.1128/aac.00223-07 | Salmonella typhimurium | 5 |
| 23306052 | 10.1016/j.bmc.2012.12.012 | Human immunodeficiency virus type 1 integrase | 2 |
| 16263280 | 10.1016/j.bmcl.2005.09.058 | Plasmodium falciparum | 1 |
| 17548496 | 10.1128/aac.00223-07 | MDCK | 1 |
| 23306052 | 10.1016/j.bmc.2012.12.012 | Human immunodeficiency virus 1 | 1 |
| 23306052 | 10.1016/j.bmc.2012.12.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine