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Compound Detail

CHEMBL2393510

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O=C(COc1cc(=O)oc2ccccc12)N1CCC(O)(c2ccc(Br)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2393510
Phase Preclinical
Structure Type MOL
InChI Key SFCUHNJETIBXQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

458.3
MW (Da)
3.44
ALogP
5
HBA
1
HBD
80.0
PSA (Ų)
0.61
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 C22H20BrNO5
MW 458.31
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
23644208 10.1016/j.ejmech.2013.03.021 NON-PROTEIN TARGET 1
23644208 10.1016/j.ejmech.2013.03.021 Cholinesterase 1
23644208 10.1016/j.ejmech.2013.03.021 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine