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Compound Detail

CHEMBL1688957

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CCCN(CCC)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688957
Phase Preclinical
Structure Type MOL
InChI Key HUHHCWATOATUTE-XNIJJKJLSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
0.06
ALogP
9
HBA
3
HBD
116.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N5O4
MW 351.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.46

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
20921305 10.1128/aac.01029-10 Bacillus anthracis 2
20921305 10.1128/aac.01029-10 J774.A1 1
28933546 10.1021/acs.jmedchem.7b01066 Unchecked 1

Data from ChEMBL 36 via Core Engine