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Compound Detail

CHEMBL3290188

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O=C1/C(=C\c2ccc(N3CCCC3)cc2)COC/C1=C\c1ccc(N2CCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3290188
Phase Preclinical
Structure Type MOL
InChI Key PPJHUAUZFQZFQJ-QFFDILLMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
4.95
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N2O2
MW 414.55
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
24980117 10.1016/j.ejmech.2014.06.034 Radical scavenging activity 1
24980117 10.1016/j.ejmech.2014.06.034 ADMET 1
24980117 10.1016/j.ejmech.2014.06.034 NON-PROTEIN TARGET 1
24980117 10.1016/j.ejmech.2014.06.034 Acetylcholinesterase 1
24980117 10.1016/j.ejmech.2014.06.034 Cholinesterase 1

Data from ChEMBL 36 via Core Engine