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Compound Detail

CHEMBL291470

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O=c1[nH]c(=O)n([C@H]2CS[C@H](CO)O2)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL291470
Phase Preclinical
Structure Type MOL
InChI Key GMHAMEKOPZZEBD-PHDIDXHHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.1
MW (Da)
-0.12
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9BrN2O4S
MW 309.14
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.78

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8423591 10.1021/jm00054a001 Human immunodeficiency virus 1 2
8423591 10.1021/jm00054a001 Human immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine