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Compound Detail

CHEMBL1190663

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c1cc(CN2CCCSCCSCCCNCC2)ccc1CN1CCCSCCSCCCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190663
Phase Preclinical
Structure Type MOL
InChI Key JQNBFKZPAITYOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

571.0
MW (Da)
4.99
ALogP
8
HBA
2
HBD
30.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H50N4S4
MW 571.00
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
26974376 10.1016/j.ejmech.2016.02.051 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine