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Compound Detail

CHEMBL271025

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CCOC(=O)CCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL271025
Phase Preclinical
Structure Type MOL
InChI Key JCPHCALXKBRVGV-VCQVUWNQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
2.87
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.87
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 C19H27NO3
MW 317.43
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.04

Literature References

PubMed DOI Target Context # Activities
17962026 10.1016/j.bmc.2007.10.030 Mus musculus 4
17962026 10.1016/j.bmc.2007.10.030 Unchecked 1
17962026 10.1016/j.bmc.2007.10.030 Mu-type opioid receptor 1

Data from ChEMBL 36 via Core Engine