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Compound Detail

CHEMBL1744159

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CC(=O)Oc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3)c(OC(C)=O)c12.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1744159
Phase Preclinical
Structure Type MOL
InChI Key SNPANMAVTAIFNI-UHFFFAOYSA-M
Parent Compound CHEMBL144216
Active Moiety CHEMBL144216
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

508.5
MW (Da)
3.60
ALogP
10
HBA
2
HBD
186.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N2NaO10S2
MW 530.47
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.16

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