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Compound Detail

CHEMBL5399099

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CCC(CN(C(=O)c1ccco1)c1ccccn1)N1CCN(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5399099
Phase Preclinical
Structure Type MOL
InChI Key LHKSKXDPVSGASF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
3.92
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N4O2
MW 404.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
38015878 10.1021/acs.jmedchem.3c01637 Mu-type opioid receptor 1
38015878 10.1021/acs.jmedchem.3c01637 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine