Compound Detail
CHEMBL315509
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Basic Information
| ChEMBL ID | CHEMBL315509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBOPUDPVRIGBOA-QYVIEDLDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
-0.84
ALogP
9
HBA
2
HBD
114.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 65000.0 | nM | 4.19 | Antiviral activity was tested using an enzyme-linked immunosorbent assay (ELISA)... | 10882371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882371 | 10.1021/jm990205m | HFF | 2 |
| 10882371 | 10.1021/jm990205m | CEM-SS | 2 |
| 10882371 | 10.1021/jm990205m | KB | 1 |
| 10882371 | 10.1021/jm990205m | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 10882371 | 10.1021/jm990205m | ADMET | 1 |
| 10882371 | 10.1021/jm990205m | L1210 | 1 |
Data from ChEMBL 36 via Core Engine