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Compound Detail

CHEMBL470813

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Nc1nc(N)nc(NCCCO)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470813
Phase Preclinical
Structure Type MOL
InChI Key LETMOHPMBKYRPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

184.2
MW (Da)
-1.17
ALogP
7
HBA
4
HBD
123.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H12N6O
MW 184.20
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
19250832 10.1016/j.bmc.2009.01.058 Trypanosoma brucei brucei 3

Data from ChEMBL 36 via Core Engine