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Compound Detail

CHEMBL1084486

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O=C(N1CCCc2ccccc21)C1(c2ccccc2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1084486
Phase Preclinical
Structure Type MOL
InChI Key YUULPLMGGIDMQX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
4.48
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23NO
MW 305.42
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
20494579 10.1016/j.bmcl.2010.04.141 Influenza A virus (A/Puerto Rico/8/1934(H1N1)) 1
20494579 10.1016/j.bmcl.2010.04.141 MDCK 1

Data from ChEMBL 36 via Core Engine