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Compound Detail

CHEMBL377795

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CCCCn1nc(Cc2cc(OC)c(OC)c(OC)c2)c2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377795
Phase Preclinical
Structure Type MOL
InChI Key RDZLYHZZUHRYGB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
3.81
ALogP
6
HBA
0
HBD
62.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O4
MW 382.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
16513345 10.1016/j.bmcl.2006.02.003 Alpha-1D adrenergic receptor 4
16513345 10.1016/j.bmcl.2006.02.003 Alpha-1A adrenergic receptor 4
16513345 10.1016/j.bmcl.2006.02.003 Alpha-1B adrenergic receptor 1

Data from ChEMBL 36 via Core Engine