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Compound Detail

CHEMBL237011

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c1ccc(CO/N=c2/[nH]cnc3[nH]cnc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL237011
Phase Preclinical
Structure Type MOL
InChI Key BAJXSYQUGGWLJQ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
1.32
ALogP
4
HBA
2
HBD
79.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N5O
MW 241.25
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.23

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
17548196 10.1016/j.bmc.2007.05.038 Plasmodium falciparum 2
17548196 10.1016/j.bmc.2007.05.038 Unchecked 2
17548196 10.1016/j.bmc.2007.05.038 KB 1

Data from ChEMBL 36 via Core Engine