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Compound Detail

CHEMBL409052

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O[C@@H]1CCCC[C@H]1N1C2CCC1CC(c1ccccc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL409052
Phase Preclinical
Structure Type MOL
InChI Key LITALOXXZWFTOC-UNBAIFSFSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
3.70
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27NO
MW 285.43
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.60

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18324757 10.1021/jm700961r Unchecked 1

Data from ChEMBL 36 via Core Engine