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Compound Detail

CHEMBL438123

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COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCNC(C)=O)cc13)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL438123
Phase Preclinical
Structure Type MOL
InChI Key HRPKDEPRKNOYFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
2.88
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.45
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 C26H31N3O6
MW 481.55
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.73

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