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Compound Detail

CHEMBL222592

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CC(Oc1ccccc1-c1ccccc1)C1=NCCS1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222592
Phase Preclinical
Structure Type MOL
InChI Key LTDPDISPKAJTKJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
4.27
ALogP
3
HBA
0
HBD
21.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17NOS
MW 283.40
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
15566287 10.1021/jm0408215 Alpha-2C adrenergic receptor 3
15566287 10.1021/jm0408215 Alpha-2B adrenergic receptor 3
15566287 10.1021/jm0408215 Alpha-2A adrenergic receptor 3

Data from ChEMBL 36 via Core Engine