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Compound Detail

CHEMBL368602

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CC(=O)NCCSS(=O)(=O)CCCCCS(=O)(=O)SCCNC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368602
Phase Preclinical
Structure Type MOL
InChI Key VGPMBEIXRUDIIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.6
MW (Da)
0.55
ALogP
8
HBA
2
HBD
126.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H26N2O6S4
MW 434.63
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
9083480 10.1021/jm960596u Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine