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Compound Detail

CHEMBL11945

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CC(=O)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11945
Phase Preclinical
Structure Type MOL
InChI Key AJKVQEKCUACUMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

121.1
MW (Da)
1.28
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.52
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 C7H7NO
MW 121.14
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
36966660 10.1016/j.bmc.2023.117255 Molecular identity unknown 4
6127411 10.1021/jm00351a015 GABA-A receptor; anion channel 1
12477346 10.1021/jm020160g Stromelysin-1 1

Data from ChEMBL 36 via Core Engine