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Compound Detail

CHEMBL3039902

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CCCOc1ccc(-c2cc(OCCCN(C)C)c3ccccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039902
Phase Preclinical
Structure Type MOL
InChI Key NQHIYAHLTDOYKH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
5.02
ALogP
4
HBA
0
HBD
34.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N2O2
MW 364.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.93

Literature References

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

Data from ChEMBL 36 via Core Engine