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Compound Detail

CHEMBL99947

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NC[C@@H]1C[C@@]1(C(=O)O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99947
Phase Preclinical
Structure Type MOL
InChI Key RKFHJXBVMPGLRG-GXSJLCMTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

191.2
MW (Da)
0.99
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13NO2
MW 191.23
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.88

Literature References

PubMed DOI Target Context # Activities
7636857 10.1021/jm00015a019 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine