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

CHEMBL1788179

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
O=C(CCCCCCC(=O)Nc1ccc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)O)c12)Nc1ccc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)O)c12.[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1788179
Phase Preclinical
Structure Type MOL
InChI Key DTRUEZQVJBOSMB-UHFFFAOYSA-L
Parent Compound CHEMBL60011
Active Moiety CHEMBL60011
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

744.8
MW (Da)
3.90
ALogP
10
HBA
6
HBD
275.7
PSA (Ų)
0.08
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26N2Na2O14S4
MW 788.76
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness -0.41

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8336338 10.1021/jm00066a008 Human immunodeficiency virus 1 2

Data from ChEMBL 36 via Core Engine