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Compound Detail

CHEMBL326957

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CN(C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL326957
Phase Preclinical
Structure Type MOL
InChI Key LDYQURJWCGZMCC-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
3.86
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.81
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 C23H34N2O2
MW 370.54
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
7932577 10.1021/jm00047a006 Mus musculus 1
7932577 10.1021/jm00047a006 Kappa-type opioid receptor 1

Data from ChEMBL 36 via Core Engine