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Compound Detail

CHEMBL554860

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CC(CNCCCNc1nc(N)nc(N)n1)NCCCNc1nc(N)nc(N)n1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL554860
Phase Preclinical
Structure Type MOL
InChI Key XKLSBJOEHJNTGN-UHFFFAOYSA-N
Parent Compound CHEMBL1195555
Active Moiety CHEMBL1195555
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
-1.74
ALogP
14
HBA
8
HBD
229.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H31ClN14
MW 442.96
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.61

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
11585449 10.1021/jm010854+ Adenosine transporter 1 1
11585449 10.1021/jm010854+ Trypanosoma brucei rhodesiense 1
11585449 10.1021/jm010854+ Trypanosoma brucei brucei 1
11585449 10.1021/jm010854+ ADMET 1
11585449 10.1021/jm010854+ Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine