Compound Detail
CHEMBL1813126
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Basic Information
| ChEMBL ID | CHEMBL1813126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIIBCTSKJNXPLW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
1.28
ALogP
4
HBA
2
HBD
92.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 CHEMBL4523285 | IC50 | 4.7 | 4.7 | 20100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of HIV1 recombinant integrase 3'-processing and strand transfer activ... | 21767953 |
| Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 | IC50 | = | 20100.0 | nM | 4.7 | Inhibition of AIMP2 DX2 isoform (unknown origin) expressed in human H460 cells i... | 32208684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21767953 | 10.1016/j.bmc.2011.06.054 | Human immunodeficiency virus type 1 integrase | 1 |
| 32208684 | 10.1021/acs.jmedchem.9b01765 | Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 | 1 |
Data from ChEMBL 36 via Core Engine