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Compound Detail

CHEMBL1671954

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NS(=O)(=O)c1ccc(NC(=O)CSc2nncn2-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1671954
Phase Preclinical
Structure Type MOL
InChI Key PYZLAMXKZMQDAL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
1.65
ALogP
7
HBA
2
HBD
120.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N5O3S2
MW 389.46
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.79

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
21207958 10.1021/jm101052g Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine