Compound Detail
CHEMBL1790617
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Basic Information
| ChEMBL ID | CHEMBL1790617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWGULRCIMQFTJZ-MPWTVKOWSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
-0.86
ALogP
9
HBA
3
HBD
122.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.66
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 2200.0 | nM | 5.66 | Tested in vitro for cytotoxicity against murine L1210 leukemic cells | 10882371 |
| ADMET | IC50 | = | 6000.0 | nM | 5.22 | Antiviral activity was tested using an enzyme-linked immunosorbent assay (ELISA)... | 10882371 |
| KB | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of KB cell growth was assessed | 10882371 |
| HFF | IC50 | = | 100000.0 | nM | 4.0 | Tested for visual cytotoxicity on uninfected HFF cells | 10882371 |
| CEM-SS | IC50 | = | 100000.0 | nM | 4.0 | Tested for visual cytotoxicity on uninfected CEM-SS 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 |
Data from ChEMBL 36 via Core Engine