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Compound Detail

CHEMBL1744440

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O=C(CCC(=O)Nc1ccc(S(=O)(=O)[O-])c2ccccc12)Nc1ccc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1744440
Phase Preclinical
Structure Type MOL
InChI Key PEXJDBVFWULJLO-UHFFFAOYSA-L
Parent Compound CHEMBL302401
Active Moiety CHEMBL302401
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

528.6
MW (Da)
3.84
ALogP
6
HBA
4
HBD
166.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18N2Na2O8S2
MW 572.53
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.64

Literature References

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

Data from ChEMBL 36 via Core Engine