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Compound Detail

CHEMBL242109

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Cc1ccc2c(N)cc(N)c(O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242109
Phase Preclinical
Structure Type MOL
InChI Key AXTUNFWYQXOGHE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

189.2
MW (Da)
1.41
ALogP
4
HBA
3
HBD
85.2
PSA (Ų)
0.33
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 C10H11N3O
MW 189.22
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.37

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17142046 10.1016/j.bmc.2006.11.020 No relevant target 1
17142046 10.1016/j.bmc.2006.11.020 Unchecked 1
17142046 10.1016/j.bmc.2006.11.020 Chlorella vulgaris 1

Data from ChEMBL 36 via Core Engine