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Compound Detail

CHEMBL5084297

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CC(CN(c1ccccc1)S(=O)(=O)C1CC1)N1CCC(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5084297
Phase Preclinical
Structure Type MOL
InChI Key XGPJAAFGTQFWSM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
4.33
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32N2O2S
MW 412.60
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
34628236 10.1016/j.ejmech.2021.113879 Mu-type opioid receptor 1

Data from ChEMBL 36 via Core Engine