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Compound Detail

CHEMBL431867

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COC1(Cc2ccccc2)CCN([C@@H](C)[C@@H](O)c2ccc(O)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL431867
Phase Preclinical
Structure Type MOL
InChI Key RJCAYYVHIYFYOZ-LAUBAEHRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
3.54
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.83
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 C22H29NO3
MW 355.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.44

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