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Compound Detail

CHEMBL1688958

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CN(Cc1ccccc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688958
Phase Preclinical
Structure Type MOL
InChI Key VGSGPQLKDKJSOZ-SCFUHWHPSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
0.07
ALogP
9
HBA
3
HBD
116.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N5O4
MW 371.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.23

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 ADMET 1
20921305 10.1128/aac.01029-10 J774.A1 1

Data from ChEMBL 36 via Core Engine