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Compound Detail

CHEMBL393783

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COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccc(C(F)(F)F)cc4)cc13)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393783
Phase Preclinical
Structure Type MOL
InChI Key QHCWHZAVIFKCHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

497.5
MW (Da)
6.70
ALogP
5
HBA
0
HBD
44.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26F3NO4
MW 497.51
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
17257841 10.1016/j.bmcl.2006.12.094 Alpha-2B adrenergic receptor 1
17257841 10.1016/j.bmcl.2006.12.094 Alpha-2A adrenergic receptor 1
17257841 10.1016/j.bmcl.2006.12.094 Alpha-2C adrenergic receptor 1

Data from ChEMBL 36 via Core Engine