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Compound Detail

CHEMBL1744150

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O=C(O)CCCC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c12.[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1744150
Phase Preclinical
Structure Type MOL
InChI Key UBRRGDXLLXRRTO-UHFFFAOYSA-L
Parent Compound CHEMBL145556
Active Moiety CHEMBL145556
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.4
MW (Da)
1.23
ALogP
7
HBA
5
HBD
195.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13NNa2O10S2
MW 477.38
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.21

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