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Compound Detail

CHEMBL324471

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COc1cc(/C=C/C(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)c([N+](=O)[O-])cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL324471
Phase Preclinical
Structure Type MOL
InChI Key KQASXGJWNYGSNV-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
2.58
ALogP
7
HBA
1
HBD
114.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N4O6
MW 466.49
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
11585443 10.1021/jm010877o No relevant target 2
11585443 10.1021/jm010877o Mu-type opioid receptor 1
11585443 10.1021/jm010877o Kappa-type opioid receptor 1
11585443 10.1021/jm010877o Delta-type opioid receptor 1
11585444 10.1021/jm010878g Mu-type opioid receptor 1

Data from ChEMBL 36 via Core Engine