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Compound Detail

CHEMBL1194032

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c1cc(CN2CCCOCCOCCCNCC2)ccc1CN1CCCOCCOCCCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194032
Phase Preclinical
Structure Type MOL
InChI Key ITAZXRCDWWQTOH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

506.7
MW (Da)
2.12
ALogP
8
HBA
2
HBD
67.5
PSA (Ų)
0.64
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 C28H50N4O4
MW 506.73
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.59

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