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Compound Detail

CHEMBL126870

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Nc1ccn([C@@H]2C[Se][C@@H](CO)O2)c(=O)n1

Basic Information

ChEMBL ID CHEMBL126870
Phase Preclinical
Structure Type MOL
InChI Key KMWPAEJQUCVVGC-BQBZGAKWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

276.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H11N3O3Se
MW 276.15

Activity Summary

EC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
EC50 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ADMET EC50 = 2400.0 nM 5.62 In vitro anti-HIV activity in peripheral blood mononuclear cells. 9301659

Literature References

PubMed DOI Target Context # Activities
9301659 10.1021/jm9703698 ADMET 3
11052795 10.1021/jm990113x Human immunodeficiency virus 1 3
11052795 10.1021/jm990113x ADMET 3
11052795 10.1021/jm990113x CCRF-CEM 3
11052795 10.1021/jm990113x Vero 3
9301659 10.1021/jm9703698 HepG2 1
9301659 10.1021/jm9703698 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine