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Compound Detail

CHEMBL3622604

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CN(C)C(=O)C1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3622604
Phase Preclinical
Structure Type MOL
InChI Key XGABIOSYJHFORX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

156.2
MW (Da)
0.07
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H16N2O
MW 156.23
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 3
26298493 10.1016/j.ejmech.2015.07.029 Neuronal acetylcholine receptor; alpha4/beta2 2
26298493 10.1016/j.ejmech.2015.07.029 Neuronal acetylcholine receptor; alpha4/beta4 2
26298493 10.1016/j.ejmech.2015.07.029 Neuronal acetylcholine receptor; alpha3/beta4 2
- 10.6019/CHEMBL4513160 Pseudomonas aeruginosa 2
- 10.6019/CHEMBL4513160 Acinetobacter baumannii 1

Data from ChEMBL 36 via Core Engine