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

CHEMBL1744151

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
COc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc([N+](C)(C)C)c12.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1744151
Phase Preclinical
Structure Type MOL
InChI Key KNJNPEHAEHKQEG-UHFFFAOYSA-M
Parent Compound CHEMBL145177
Active Moiety CHEMBL145177
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
1.20
ALogP
6
HBA
1
HBD
120.8
PSA (Ų)
0.63
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 C14H16NNaO7S2
MW 397.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
1282569 10.1021/jm00104a010 Human immunodeficiency virus type 1 reverse transcriptase 2
1282569 10.1021/jm00104a010 MT4 2

Data from ChEMBL 36 via Core Engine