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Compound Detail

CHEMBL4571402

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OCC1CCCN(Cc2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4571402
Phase Preclinical
Structure Type MOL
InChI Key GEXYNZFTVPXBBB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

205.3
MW (Da)
1.89
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19NO
MW 205.30
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 3
- 10.6019/CHEMBL4513160 Pseudomonas aeruginosa 2
- 10.6019/CHEMBL4513160 Acinetobacter baumannii 1
32380361 10.1016/j.ejmech.2020.112282 Amine oxidase [flavin-containing] B 1
32380361 10.1016/j.ejmech.2020.112282 Acetylcholinesterase 1
32380361 10.1016/j.ejmech.2020.112282 Cholinesterase 1
32380361 10.1016/j.ejmech.2020.112282 Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine