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Compound Detail

CHEMBL85880

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NCC(CC(=O)O)c1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL85880
Phase Preclinical
Structure Type MOL
InChI Key PNVONHQAGBQVCW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

169.2
MW (Da)
0.80
ALogP
3
HBA
2
HBD
76.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H11NO3
MW 169.18
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
1652022 10.1021/jm00112a033 GABA-A receptor; anion channel 1
1652022 10.1021/jm00112a033 GABA B receptor 1

Data from ChEMBL 36 via Core Engine