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Compound Detail

CHEMBL4536994

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COc1cccc(C2=NN3CC(CC(=O)O)N=C3C=C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4536994
Phase Preclinical
Structure Type MOL
InChI Key OCCSPKMLUDDKTA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
1.53
ALogP
5
HBA
1
HBD
74.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N3O3
MW 285.30
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
30763084 10.1021/acs.jmedchem.9b00131 GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine