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Compound Detail

CHEMBL278193

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COc1ccc2[nH]c3c(C)nccc3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL278193
Phase Preclinical
Structure Type MOL
InChI Key XYYVPBBISSKKQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
3.03
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O
MW 212.25
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness 0.23

Literature References

PubMed DOI Target Context # Activities
6195312 10.1021/np50028a027 CHO 7
12930153 10.1021/jm030080s 5-hydroxytryptamine receptor 5A 1
11909733 10.1016/s0960-894x(02)00094-x Cyclin-dependent kinase 5 1
11909733 10.1016/s0960-894x(02)00094-x Cyclin-dependent kinase 2 1
16945529 10.1016/j.bmcl.2006.08.067 Cholinesterase 1
16945529 10.1016/j.bmcl.2006.08.067 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine