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Compound Detail

CHEMBL489618

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COc1cccc(C(O)C2CCN(Cc3ccc(F)cc3)CC2)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL489618
Phase Preclinical
Structure Type MOL
InChI Key ACARRFRVNJRYJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
3.79
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.85
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 C21H26FNO3
MW 359.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
19329329 10.1016/j.bmc.2009.03.021 5-hydroxytryptamine receptor 2A 1

Data from ChEMBL 36 via Core Engine