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Compound Detail

CHEMBL126924

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C1CNCCNCCCN[C@H]([C@@H]2CNCCCNCCNCCCN2)CNC1

Basic Information

ChEMBL ID CHEMBL126924
Phase Preclinical
Structure Type MOL
InChI Key UFKVRQZMUTURNC-PMACEKPBSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

398.6
MW (Da)
-1.97
ALogP
8
HBA
8
HBD
96.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H46N8
MW 398.64
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 0.25

Activity Summary

EC50 3 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

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
26974376 10.1016/j.ejmech.2016.02.051 Human immunodeficiency virus 1 1
26974376 10.1016/j.ejmech.2016.02.051 Unchecked 1

Data from ChEMBL 36 via Core Engine