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Compound Detail

CHEMBL327373

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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 CHEMBL327373
Phase Preclinical
Structure Type MOL
InChI Key GMHAMEKOPZZEBD-RITPCOANSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
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

Literature References

PubMed DOI Target Context # Activities
8410975 10.1021/jm00070a006 Human immunodeficiency virus 1 2
- 10.1016/S0960-894X(01)81256-7 ADMET 2
8410975 10.1021/jm00070a006 Vero 1
- 10.1016/S0960-894X(01)81256-7 MT4 1
- 10.1016/S0960-894X(01)81256-7 HepG2 1
- 10.1016/S0960-894X(01)81256-7 Vero 1

Data from ChEMBL 36 via Core Engine