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Compound Detail

CHEMBL595015

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COc1cccc(-c2nc(CN(C)C)nn2-c2ccc(C(C)(C)C)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL595015
Phase Preclinical
Structure Type MOL
InChI Key ADMLFMJKRVLJPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
4.30
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N4O
MW 364.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
19646882 10.1016/j.bmc.2009.07.007 Unchecked 2
19646882 10.1016/j.bmc.2009.07.007 Kappa-type opioid receptor 1
19646882 10.1016/j.bmc.2009.07.007 Mu-type opioid receptor 1
19646882 10.1016/j.bmc.2009.07.007 Delta-type opioid receptor 1

Data from ChEMBL 36 via Core Engine