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Compound Detail

CHEMBL5287561

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CCC(=O)N(c1nc(-c2ccccc2)cs1)C1CCN(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5287561
Phase Preclinical
Structure Type MOL
InChI Key UMRYFRMGXALPQJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

405.6
MW (Da)
5.22
ALogP
4
HBA
0
HBD
36.4
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3OS
MW 405.57
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.67

Literature References

PubMed DOI Target Context # Activities
34175542 10.1016/j.ejmech.2021.113658 Mu-type opioid receptor 1
34175542 10.1016/j.ejmech.2021.113658 Sigma non-opioid intracellular receptor 1 1
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