Compound Detail
CHEMBL61203
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Basic Information
| ChEMBL ID | CHEMBL61203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKVXKVKAUFFGAM-PKNBQFBNSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
4.11
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.66
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.66 | 5.495 | 2200.0 | 2 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2200.0 | nM | 5.66 | Inhibition of NMD1 (unknown origin) using imipenem as substrate by spectrophotom... | 35841882 |
| Unchecked | Ki | = | 4700.0 | nM | 5.33 | Inhibition of IMP-1 (unknown origin) using imipenem as substrate by spectrophoto... | 35841882 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of HIV1 integrase 3' processing activity | 17452064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35841882 | 10.1016/j.ejmech.2022.114599 | Unchecked | 5 |
| 9667973 | 10.1021/jm980043e | Human immunodeficiency virus type 1 integrase | 2 |
| 9667973 | 10.1021/jm980043e | CCRF-CEM | 2 |
| 35841882 | 10.1016/j.ejmech.2022.114599 | Klebsiella pneumoniae | 2 |
| 35841882 | 10.1016/j.ejmech.2022.114599 | Escherichia coli | 2 |
| 10821707 | 10.1021/jm9911581 | Gag-Pol polyprotein | 1 |
| 10821707 | 10.1021/jm9911581 | Human immunodeficiency virus type 1 protease | 1 |
| 19944612 | 10.1016/j.bmc.2009.11.012 | MCF7 | 1 |
| 19944612 | 10.1016/j.bmc.2009.11.012 | NCI-H460 | 1 |
| 19944612 | 10.1016/j.bmc.2009.11.012 | SF-268 | 1 |
| 17452064 | 10.1016/j.ejmech.2007.02.021 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine