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Compound Detail

CHEMBL5195977

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CCCOc1ccc(-c2cc(OCCN3CCN(Cc4ccccc4)CC3)c3cc(OC)cc(OC)c3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5195977
Phase Preclinical
Structure Type MOL
InChI Key ILXFPYNUZJVFHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

541.7
MW (Da)
5.90
ALogP
7
HBA
0
HBD
56.3
PSA (Ų)
0.22
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H39N3O4
MW 541.69
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
35571875 10.1021/acsmedchemlett.2c00123 SARS-CoV-2 1
35571875 10.1021/acsmedchemlett.2c00123 Vero C1008 1

Data from ChEMBL 36 via Core Engine