Compound Detail
CHEMBL1831080
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Basic Information
| ChEMBL ID | CHEMBL1831080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNTRNPQLQLWPGZ-WCQYABFASA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
0.84
ALogP
7
HBA
3
HBD
135.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 32.1 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 200.0 | nM | 6.7 | Antiviral activity against HIV1 infected in human CEM-T4 cells assessed as reduc... | 21834513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21834513 | 10.1021/jm2001103 | Human immunodeficiency virus 1 | 3 |
| 21834513 | 10.1021/jm2001103 | No relevant target | 2 |
| 21834513 | 10.1021/jm2001103 | ADMET | 1 |
| 21834513 | 10.1021/jm2001103 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine