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Compound Detail

CHEMBL1744435

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O=C(CCCCCC(=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+].[Na+].[Na+]

Basic Information

ChEMBL ID CHEMBL1744435
Phase Preclinical
Structure Type MOL
InChI Key IDXATNLMXVSIKX-UHFFFAOYSA-J
Parent Compound CHEMBL64527
Active Moiety CHEMBL64527
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

730.8
MW (Da)
3.51
ALogP
10
HBA
6
HBD
275.7
PSA (Ų)
0.09
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22N2Na4O14S4
MW 818.70
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -0.42

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