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Compound Detail

CHEMBL178434

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COC(C)C(=O)OCC1(N(C(=O)C(C)OC)c2ccccc2)CCN(CCc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL178434
Phase Preclinical
Structure Type MOL
InChI Key KOOSDBJQDYAFAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
3.71
ALogP
6
HBA
0
HBD
68.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38N2O5
MW 482.62
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
2709383 10.1021/jm00125a008 Mus musculus 3
2709383 10.1021/jm00125a008 Opioid receptor 1

Data from ChEMBL 36 via Core Engine