Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL347685

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
[N-]=[N+]=N[C@@H]1CC(n2cc(/C=C/Br)c(=O)[nH]c2=O)O[C@@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL347685
Phase Preclinical
Structure Type MOL
InChI Key RITJCMXQJOICCU-YICFZBSZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.1
MW (Da)
0.86
ALogP
6
HBA
2
HBD
133.1
PSA (Ų)
0.47
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 C11H12BrN5O4
MW 358.15
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.00

Literature References

PubMed DOI Target Context # Activities
2918508 10.1021/jm00123a018 Human immunodeficiency virus 1 1
2918508 10.1021/jm00123a018 ADMET 1

Data from ChEMBL 36 via Core Engine