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Compound Detail

CHEMBL155555

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C[n+]1cccnc1NCCCCCCCCCCNc1nccc[n+]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL155555
Phase Preclinical
Structure Type MOL
InChI Key DJVSHVQOHCOKOT-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
2.77
ALogP
4
HBA
2
HBD
57.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H34N6+2
MW 358.53
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
7861407 10.1021/jm00004a005 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine