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Compound Detail

CHEMBL590556

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C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(C(=O)O)noc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL590556
Phase Preclinical
Structure Type MOL
InChI Key QFCXOQVIKAPQMZ-MKMNVTDBSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.3
MW (Da)
2.33
ALogP
9
HBA
2
HBD
174.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N5O7
MW 349.26
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.64

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
19932968 10.1016/j.bmc.2009.11.001 Cystine/glutamate transporter 5

Data from ChEMBL 36 via Core Engine