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Compound Detail

CHEMBL5397375

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CC(CN(C(=O)c1cccs1)c1ccccn1)N1CCN(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5397375
Phase Preclinical
Structure Type MOL
InChI Key PCVBTCUDIGYBMZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.6
MW (Da)
4.00
ALogP
5
HBA
0
HBD
39.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N4OS
MW 406.56
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.05

Literature References

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

Data from ChEMBL 36 via Core Engine