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Compound Detail

CHEMBL4075411

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CCCCCCCn1nc2cccc([N+](=O)[O-])c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4075411
Phase Preclinical
Structure Type MOL
InChI Key HZSUMMHWUWBQGM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
3.31
ALogP
5
HBA
0
HBD
73.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N4O2
MW 262.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.16

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