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Compound Detail

CHEMBL86510

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Cc1cc(NCC(O)CO)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL86510
Phase Preclinical
Structure Type MOL
InChI Key MIQMDNQMCFYTRD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
1.31
ALogP
4
HBA
3
HBD
65.4
PSA (Ų)
0.74
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 C13H16N2O2
MW 232.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
12182873 10.1016/s0960-894x(02)00470-5 Glutamate NMDA receptor 1
12182873 10.1016/s0960-894x(02)00470-5 No relevant target 1

Data from ChEMBL 36 via Core Engine