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Compound Detail

CHEMBL122537

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Cc1cc(CN2CCCNCCNCCCNCC2)c(C)cc1CN1CCCNCCNCCCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL122537
Phase Preclinical
Structure Type MOL
InChI Key GBUVEYKYEYRGEU-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

530.9
MW (Da)
1.03
ALogP
8
HBA
6
HBD
78.7
PSA (Ų)
0.34
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 C30H58N8
MW 530.85
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness -0.43

Activity Summary

EC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
7562918 10.1021/jm00019a017 Human immunodeficiency virus 1 2
7562918 10.1021/jm00019a017 Human immunodeficiency virus 1
7562918 10.1021/jm00019a017 HuT78 1

Data from ChEMBL 36 via Core Engine