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Compound Detail

CHEMBL446425

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Cn1cc(C(=O)CCCCOc2ccc(C3=NCCO3)cc2)cc1C=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL446425
Phase Preclinical
Structure Type MOL
InChI Key JJCOUPREZZLJCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.05
ALogP
6
HBA
0
HBD
69.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O4
MW 354.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81153-7 Vero 6
- 10.1016/S0960-894X(01)81153-7 HeLa 2
7877145 10.1021/jm00005a007 HeLa 2
7877145 10.1021/jm00005a007 Human rhinovirus sp. 2

Data from ChEMBL 36 via Core Engine