Compound Detail
CHEMBL196867
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Basic Information
| ChEMBL ID | CHEMBL196867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUSUQKHDEJIFEV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
374.3
MW (Da)
2.53
ALogP
8
HBA
2
HBD
117.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.54 | 4.54 | 29000.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 29000.0 | nM | 4.54 | Antiviral potency against HIV1 in CEM/O cells | 16335932 |
| Human immunodeficiency virus 2 | EC50 | = | 56000.0 | nM | 4.25 | Antiviral potency against HIV2 in CEM/O cells | 16335932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16335932 | 10.1021/jm050641a | No relevant target | 3 |
| 16335932 | 10.1021/jm050641a | Acetylcholine receptor subunit epsilon | 1 |
| 16335932 | 10.1021/jm050641a | Cholinesterase | 1 |
| 16335932 | 10.1021/jm050641a | Human immunodeficiency virus 1 | 1 |
| 16335932 | 10.1021/jm050641a | Human immunodeficiency virus 2 | 1 |
| 16335932 | 10.1021/jm050641a | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine