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Compound Detail

CHEMBL12239

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COC(=O)c1cc2c3ccccc3n(C)c2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12239
Phase Preclinical
Structure Type MOL
InChI Key QJVBEJRCLQGKAR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.51
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.61
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 C14H12N2O2
MW 240.26
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
6127411 10.1021/jm00351a015 GABA-A receptor; anion channel 1
2842507 10.1021/jm00117a029 GABA-A receptor; anion channel 1
2167977 10.1021/jm00171a007 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine