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Compound Detail

CHEMBL118690

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CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1C(N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL118690
Phase Preclinical
Structure Type MOL
InChI Key CRBJBPIXNBGVGF-GMRULEOSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
1.22
ALogP
3
HBA
2
HBD
83.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N2O3
MW 290.36
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.17

Literature References

PubMed DOI Target Context # Activities
9719604 10.1021/jm980238m Glutamate NMDA receptor 1
9719604 10.1021/jm980238m Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine