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Compound Detail

CHEMBL489704

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O=[N+]([O-])c1cn2c(n1)OC[C@@H](O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL489704
Phase Preclinical
Structure Type MOL
InChI Key HMFPMGBWSFUHEN-BYPYZUCNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

185.1
MW (Da)
-0.46
ALogP
6
HBA
1
HBD
90.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H7N3O4
MW 185.14
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.10

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19209889 10.1021/jm801246z Mycobacterium tuberculosis 5
19209889 10.1021/jm801246z Unchecked 1
24900574 10.1021/ml300362a L6 1
24900574 10.1021/ml300362a Mycobacterium tuberculosis 1
24900574 10.1021/ml300362a Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine