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Compound Detail

CHEMBL15200

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COc1ccc2ncccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL15200
Phase Preclinical
Structure Type MOL
InChI Key HFDLDPJYCIEXJP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

159.2
MW (Da)
2.24
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.64
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 C10H9NO
MW 159.19
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
22425563 10.1016/j.bmcl.2012.02.057 Acetylcholinesterase 4
8487254 10.1021/jm00061a004 Cytochrome P450 2D6 1

Data from ChEMBL 36 via Core Engine