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Compound Detail

CHEMBL122277

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c1ccc(CN2CCCNCCNCCCNCC2)c(CN2CCCNCCNCCCNCC2)c1

Basic Information

ChEMBL ID CHEMBL122277
Phase Preclinical
Structure Type MOL
InChI Key DPVJQVLYUDTAKT-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

502.8
MW (Da)
0.42
ALogP
8
HBA
6
HBD
78.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H54N8
MW 502.80
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.47

Activity Summary

EC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
7562918 10.1021/jm00019a017 Human immunodeficiency virus 1 1
7562918 10.1021/jm00019a017 Human immunodeficiency virus 1
7562918 10.1021/jm00019a017 HuT78 1

Data from ChEMBL 36 via Core Engine