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Compound Detail

CHEMBL1688959

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OC[C@H]1O[C@@H](n2cnc3c(N4CCCCC4)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688959
Phase Preclinical
Structure Type MOL
InChI Key KCBJCVNQLADGGM-SDBHATRESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
-0.57
ALogP
9
HBA
3
HBD
116.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21N5O4
MW 335.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.41

Activity Summary

IC50 1 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

Data from ChEMBL 36 via Core Engine