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Compound Detail

CHEMBL102212

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C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCN(C(=O)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL102212
Phase Preclinical
Structure Type MOL
InChI Key VXTUNPXGSMVJCC-HNAYVOBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
2.27
ALogP
4
HBA
2
HBD
64.0
PSA (Ų)
0.90
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 C20H24N2O3
MW 340.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
7636876 10.1021/jm00016a017 Glutamate NMDA receptor 1
7636876 10.1021/jm00016a017 Adrenergic receptor alpha-1 1
7636876 10.1021/jm00016a017 Unchecked 1
1681106 10.1021/jm00114a018 Glutamate NMDA receptor 1
1681106 10.1021/jm00114a018 Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine