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Compound Detail

CHEMBL305673

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Oc1onc2c1CNCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL305673
Phase Preclinical
Structure Type MOL
InChI Key QERHSYDLCONEQO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

154.2
MW (Da)
0.42
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H10N2O2
MW 154.17
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
3005567 10.1021/jm00152a010 No relevant target 1
3005567 10.1021/jm00152a010 GABA-A receptor; anion channel 1
3005567 10.1021/jm00152a010 GABA transporter 1

Data from ChEMBL 36 via Core Engine