Compound Detail
CHEMBL8450
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Basic Information
| ChEMBL ID | CHEMBL8450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYGIKEQVUKTKRR-LBPRGKRZSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
1.74
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.68
EC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcriptional activator protein LasR CHEMBL1075207 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcriptional activator protein LasR | EC50 | = | 15.0 | nM | 7.82 | Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Es... | 20669927 |
| Mus musculus | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of murine splenocyte proliferation | 12502363 |
| Human immunodeficiency virus 1 | IC50 | = | 65000.0 | nM | 4.19 | Inhibition of human peripheral blood mononuclear cell (PBMC)donor C proliferatio... | 12502363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502363 | 10.1021/jm020909n | Human immunodeficiency virus 1 | 4 |
| 12502363 | 10.1021/jm020909n | Mus musculus | 1 |
| 16460931 | 10.1016/j.bmcl.2006.01.054 | P388 | 1 |
| 20669927 | 10.1021/jm901742e | Transcriptional activator protein LasR | 1 |
Data from ChEMBL 36 via Core Engine