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Compound Detail

CHEMBL316670

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COc1ccccc1N(C(=O)c1ccco1)C1CCN(CCn2cnnn2)CC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL316670
Phase Preclinical
Structure Type MOL
InChI Key YYBOYVIZMAMBAX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
2.33
ALogP
8
HBA
0
HBD
89.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N6O3
MW 410.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
2170652 10.1021/jm00172a032 Mus musculus 1
2170652 10.1021/jm00172a032 Mu-type opioid receptor 1

Data from ChEMBL 36 via Core Engine