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Compound Detail

CHEMBL493674

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COC(C)(Oc1ccccc1-c1ccccc1)C1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493674
Phase Preclinical
Structure Type MOL
InChI Key AOMAWWDDXIQFSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.10
ALogP
4
HBA
1
HBD
42.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O2
MW 296.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
18578476 10.1021/jm800250z Alpha-2B adrenergic receptor 1
18578476 10.1021/jm800250z Alpha-2C adrenergic receptor 1
18578476 10.1021/jm800250z Alpha-2A adrenergic receptor 1

Data from ChEMBL 36 via Core Engine