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Compound Detail

CHEMBL1688960

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CCOC(=O)C1CCCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688960
Phase Preclinical
Structure Type MOL
InChI Key ABKNEBAOASRVKO-QIFOKDCASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
-0.78
ALogP
11
HBA
3
HBD
143.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25N5O6
MW 407.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.07

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