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Compound Detail

CHEMBL4216136

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O=C1COC2CN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC(N3CCCC3)C2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4216136
Phase Preclinical
Structure Type MOL
InChI Key NRIIKTBFHPWWEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

412.3
MW (Da)
1.73
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23Cl2N3O3
MW 412.32
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C6MD00441E Delta-type opioid receptor 1
- 10.1039/C6MD00441E Mu-type opioid receptor 1
- 10.1039/C6MD00441E Kappa-type opioid receptor 1
- 10.1039/C6MD00441E Sigma non-opioid intracellular receptor 1 1
- 10.1039/C6MD00441E Sigma intracellular receptor 2 1

Data from ChEMBL 36 via Core Engine