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Compound Detail

CHEMBL2261112

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CCCN(CCC)CCOc1cccc([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2261112
Phase Preclinical
Structure Type MOL
InChI Key SJKWFNMETVMMJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.10
ALogP
4
HBA
0
HBD
55.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H22N2O3
MW 266.34
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.82

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-005-0137-8 Neuronal acetylcholine receptor; alpha4/beta2 2

Data from ChEMBL 36 via Core Engine