Compound Detail
CHEMBL37833
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Basic Information
| ChEMBL ID | CHEMBL37833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDVZDMLDMKWDKU-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
1.62
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.06
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.3 | 5.3 | 5060.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 5.06 | 5.06 | 8700.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.06 | 5.06 | 8700.0 | 1 |
| MT4 CHEMBL388 | EC50 | 5.06 | 5.06 | 8700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 5060.0 | nM | 5.3 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as prote... | 24657566 |
| MT4 | EC50 | = | 8700.0 | nM | 5.06 | Compound was evaluated for effective concentration required to achieve 50% prote... | 7540209 |
| Human immunodeficiency virus 1 | EC50 | = | 8700.0 | nM | 5.06 | Effective concentration required for 50% protection of MT-4 cells against the cy... | 1469700 |
| MT4 | EC50 | = | 8700.0 | nM | 5.06 | Concentration of compound required to achieve 50% protection of MT-4 cells again... | 2016729 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 8700.0 | nM | 5.06 | Inhibitory concentration against HIV-1 reverse transcriptase | 9435895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2016729 | 10.1021/jm00108a041 | MT4 | 2 |
| 7540209 | 10.1021/jm00012a014 | MT4 | 1 |
| 1469700 | 10.1021/jm00103a009 | Human immunodeficiency virus 1 | 1 |
| 1469700 | 10.1021/jm00103a009 | NON-PROTEIN TARGET | 1 |
| 1469700 | 10.1021/jm00103a009 | MT4 | 1 |
| 2016729 | 10.1021/jm00108a041 | Unchecked | 1 |
| 9435895 | 10.1021/jm970110p | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 24657566 | 10.1016/j.ejmech.2014.03.013 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine