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Compound Detail

CHEMBL12328

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CCC1NC(C(=O)OC)Cc2c1[nH]c1ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12328
Phase Preclinical
Structure Type MOL
InChI Key ADIHMVQHJFGVMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
2.31
ALogP
3
HBA
2
HBD
54.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N2O2
MW 258.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.54

Literature References

PubMed DOI Target Context # Activities
6127411 10.1021/jm00351a015 GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine