Compound Detail
CHEMBL2337431
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Basic Information
| ChEMBL ID | CHEMBL2337431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPUZMPXCUWYQIB-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
373.9
MW (Da)
5.70
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.73
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.0
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.0 | 6.8733 | 10.0 | 3 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 10.0 | nM | 8.0 | Antiviral activity against Human immunodeficiency virus 1 SF33 infected in human... | 23540737 |
| Human immunodeficiency virus 1 | EC50 | = | 23.0 | nM | 7.64 | Antiviral activity against Human immunodeficiency virus 1 SF33 infected in human... | 23540737 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 160.0 | nM | 6.8 | Inhibition of HIV1 reverse transcriptase after 1 hr by colorimetric assay | 23540737 |
| Human immunodeficiency virus 1 | EC50 | = | 10424.0 | nM | 4.98 | Antiviral activity against NNRTI-resistant Human immunodeficiency virus 1 A17 do... | 23540737 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23540737 | 10.1021/jm400102x | Human immunodeficiency virus 1 | 4 |
| 23540737 | 10.1021/jm400102x | Unchecked | 4 |
| 23540737 | 10.1021/jm400102x | MT4 | 1 |
| 23540737 | 10.1021/jm400102x | ADMET | 1 |
| 23540737 | 10.1021/jm400102x | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine