Compound Detail
CHEMBL192499
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Basic Information
| ChEMBL ID | CHEMBL192499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIPHWXPOQWXZLI-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.8
MW (Da)
4.57
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.55
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.55 | 5.55 | 2830.0 | 2 |
| MT4 CHEMBL388 | EC50 | 5.55 | 5.55 | 2830.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 2830.0 | nM | 5.55 | Concentration required to reduce HIV-1-induced cytopathic effect in MT-4 cells | 15857150 |
| Human immunodeficiency virus 1 | EC50 | = | 2830.09 | nM | 5.55 | Antiviral activity against Human immunodeficiency virus 1 infected human MT4 cel... | - |
| Human immunodeficiency virus 1 | EC50 | = | 2830.0 | nM | 5.55 | Antiviral activity against Human immunodeficiency virus 1 infected human MT4 cel... | - |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 16200.0 | nM | 4.79 | Concentration required to inhibit in vitro RNA-dependent DNA polymerase activity... | 15857150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857150 | 10.1021/jm049279a | MT4 | 3 |
| - | 10.1007/s00044-010-9406-2 | Human immunodeficiency virus 1 | 2 |
| 15857150 | 10.1021/jm049279a | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine