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Compound Detail

CHEMBL4065540

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O=[N+]([O-])c1cccc2nn(Cc3ccccc3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4065540
Phase Preclinical
Structure Type MOL
InChI Key FWPGXAULUBVFSA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.2
MW (Da)
2.39
ALogP
5
HBA
0
HBD
73.8
PSA (Ų)
0.53
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 C13H10N4O2
MW 254.25
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.39

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28789912 10.1016/j.bmc.2017.07.045 P2Y purinoceptor 12 3

Data from ChEMBL 36 via Core Engine