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Compound Detail

CHEMBL2287059

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CCOc1ccccc1Cn1nc(OC)oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2287059
Phase Preclinical
Structure Type MOL
InChI Key GDDSQKOBPGFWOR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

250.2
MW (Da)
1.29
ALogP
6
HBA
0
HBD
66.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N2O4
MW 250.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.17.4_231 Unchecked 1
- 10.1584/jpestics.17.4_231 Nicotinic acetylcholine receptor alpha 5 subunit 1

Data from ChEMBL 36 via Core Engine