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Compound Detail

CHEMBL5432378

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CCn1ncc(-c2cc(C)no2)c1C1CCN(CC(=O)N2CCOCC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5432378
Phase Preclinical
Structure Type MOL
InChI Key XJDDDWSRAWQMRJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
1.90
ALogP
7
HBA
0
HBD
76.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29N5O3
MW 387.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -2.25

Literature References

PubMed DOI Target Context # Activities
37607512 10.1021/acs.jmedchem.3c01060 Sigma non-opioid intracellular receptor 1 1
37607512 10.1021/acs.jmedchem.3c01060 Sigma intracellular receptor 2 1

Data from ChEMBL 36 via Core Engine