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Compound Detail

CHEMBL1688968

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N#Cc1ncnc2[nH]cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688968
Phase Preclinical
Structure Type MOL
InChI Key NHYQQYMSESLQDX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

145.1
MW (Da)
0.22
ALogP
4
HBA
1
HBD
78.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H3N5
MW 145.12
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.26

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