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Compound Detail

CHEMBL107303

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C[C@@H]([C@@H](O)c1ccccc1)N1CCC(O)(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL107303
Phase Preclinical
Structure Type MOL
InChI Key RWLHDPSXYGPVBC-QFBILLFUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
3.09
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.91
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 C20H25NO2
MW 311.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.08

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

Data from ChEMBL 36 via Core Engine