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Compound Detail

CHEMBL2387264

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COc1ccccc1N1CCN(CCCCOc2ccc3c(CO)cc(=O)oc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2387264
Phase Preclinical
Structure Type MOL
InChI Key XNXXRSKVPRVXAO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
3.28
ALogP
7
HBA
1
HBD
75.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N2O5
MW 438.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
23675993 10.1021/jm400408r 5-hydroxytryptamine receptor 2A 1
23675993 10.1021/jm400408r 5-hydroxytryptamine receptor 1A 1
23675993 10.1021/jm400408r D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine