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Compound Detail

CHEMBL470294

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CSS[C@H]1C[C@H](n2cc(Br)c(=O)[nH]c2=O)O[C@@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470294
Phase Preclinical
Structure Type MOL
InChI Key MHVXQRDREOXPTL-GJMOJQLCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

369.3
MW (Da)
0.96
ALogP
7
HBA
2
HBD
84.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13BrN2O4S2
MW 369.26
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.45

Literature References

PubMed DOI Target Context # Activities
18556209 10.1016/j.bmc.2008.05.065 Human immunodeficiency virus 1 1
18556209 10.1016/j.bmc.2008.05.065 Human immunodeficiency virus 2 1
18556209 10.1016/j.bmc.2008.05.065 ADMET 1

Data from ChEMBL 36 via Core Engine