Compound Detail
CHEMBL84245
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Basic Information
| ChEMBL ID | CHEMBL84245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQXQAEWRSVZPJM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
2.34
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1400.0 | nM | 5.85 | Anti-HIV activity protecting MT-4 cells from HIV-1 induced cytopathogenicity | 12773052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773052 | 10.1021/jm0211063 | MT4 | 1 |
| 12773052 | 10.1021/jm0211063 | Human immunodeficiency virus 1 | 1 |
| 23792321 | 10.1016/j.ejmech.2013.04.047 | Aspergillus niger | 1 |
| 23792321 | 10.1016/j.ejmech.2013.04.047 | Rhizoctonia solani | 1 |
| 23792321 | 10.1016/j.ejmech.2013.04.047 | Fusarium oxysporum | 1 |
| 23792321 | 10.1016/j.ejmech.2013.04.047 | Pseudomonas aeruginosa | 1 |
| 23792321 | 10.1016/j.ejmech.2013.04.047 | Bacillus subtilis | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 30343193 | 10.1016/j.ejmech.2018.10.027 | Unchecked | 1 |
| - | 10.6019/CHEMBL4513135 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513135 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513135 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513135 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513135 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513135 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513135 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine