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Compound Detail

CHEMBL4077654

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CCCCCCCCn1nc2cccc([N+](=O)[O-])c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4077654
Phase Preclinical
Structure Type MOL
InChI Key SJRXOZLNLSPOKS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
3.70
ALogP
5
HBA
0
HBD
73.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20N4O2
MW 276.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.10

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