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Compound Detail

CHEMBL398090

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NC(=O)c1ccc(Oc2ccc(CN3CCc4ccccc4C3)cc2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL398090
Phase Preclinical
Structure Type MOL
InChI Key ASROHKXYVRSCOG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
3.53
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.76
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 C22H21N3O2
MW 359.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
17980586 10.1016/j.bmcl.2007.10.025 Mu-type opioid receptor 2
17980586 10.1016/j.bmcl.2007.10.025 Kappa-type opioid receptor 2
17980586 10.1016/j.bmcl.2007.10.025 Delta-type opioid receptor 2

Data from ChEMBL 36 via Core Engine