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Compound Detail

CHEMBL236394

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NCc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL236394
Phase Preclinical
Structure Type MOL
InChI Key LYBVJRGNHGNDMJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.66
ALogP
4
HBA
2
HBD
60.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O
MW 333.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
17720493 10.1016/j.bmcl.2007.08.008 Kappa-type opioid receptor 1
17720493 10.1016/j.bmcl.2007.08.008 Mu-type opioid receptor 1
17720493 10.1016/j.bmcl.2007.08.008 Delta-type opioid receptor 1

Data from ChEMBL 36 via Core Engine