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Compound Detail

CHEMBL5189638

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CCCOc1ccc(-c2cc(C(=O)NCCN(CC)CC)c3ccccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5189638
Phase Preclinical
Structure Type MOL
InChI Key INROIHSMZRXPDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
4.76
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N3O2
MW 405.54
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.53

Literature References

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

Data from ChEMBL 36 via Core Engine