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Compound Detail

CHEMBL30874

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CCCCCCCCCCCCS(=O)(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL30874
Phase Preclinical
Structure Type MOL
InChI Key GVZFADGLKSRYNW-RSXGOPAZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.7
MW (Da)
5.93
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H44N2O2S
MW 448.72
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
2838634 10.1021/jm00402a029 Adrenergic receptor alpha-2 1
2838634 10.1021/jm00402a029 Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine