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Compound Detail

CHEMBL1202423

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Cl.c1nc(CN2CCCNCCNCCCNCC2)cnc1CN1CCCNCCNCCCNCC1

Basic Information

ChEMBL ID CHEMBL1202423
Phase Preclinical
Structure Type MOL
InChI Key FZRDTOQHGIRRQI-UHFFFAOYSA-N
Parent Compound CHEMBL18128
Active Moiety CHEMBL18128
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

504.8
MW (Da)
-0.79
ALogP
10
HBA
6
HBD
104.4
PSA (Ų)
0.31
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 C26H53ClN10
MW 541.23
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.46

Activity Summary

EC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
8568797 10.1021/jm950584t Human immunodeficiency virus 1 1
8568797 10.1021/jm950584t Human immunodeficiency virus 2 1
8568797 10.1021/jm950584t MT4 1
8568797 10.1021/jm950584t No relevant target 1

Data from ChEMBL 36 via Core Engine