Compound Detail
CHEMBL2112098
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Basic Information
| ChEMBL ID | CHEMBL2112098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYOOJKUGCSOEPM-IONNQARKSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
0.17
ALogP
8
HBA
2
HBD
101.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.68
EC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.68 | 4.68 | 21000.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 21000.0 | nM | 4.68 | Antiviral activity against HIV1 | 26116177 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 21000.0 | nM | 4.68 | Antiviral activity was tested in cells acutely infected with HIV-1 RT (reverse t... | 10882371 |
| L1210 | IC50 | = | 25000.0 | nM | 4.6 | Tested in vitro for cytotoxicity against murine L1210 leukemic cells | 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 | L1210 | 1 |
| 10882371 | 10.1021/jm990205m | KB | 1 |
| 10882371 | 10.1021/jm990205m | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 10882371 | 10.1021/jm990205m | ADMET | 1 |
| 26116177 | 10.1016/j.bmc.2015.06.016 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine