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Compound Detail

CHEMBL5207579

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c1ccc(-c2cc(OCCN3CCCCC3)c3ccccc3n2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5207579
Phase Preclinical
Structure Type MOL
InChI Key VNYYMLNCUIXBRB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
4.16
ALogP
4
HBA
0
HBD
38.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O
MW 333.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.17

Literature References

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

Data from ChEMBL 36 via Core Engine