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Compound Detail

CHEMBL5394360

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Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)CN3CCOCC3)CC2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5394360
Phase Preclinical
Structure Type MOL
InChI Key ZVSPHGJOAGJIQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
1.79
ALogP
7
HBA
0
HBD
84.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N5O3
MW 385.47
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.98

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