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Compound Detail

CHEMBL3088167

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CCC12CC34CNCC3(C1)CC2(CC)C4.O=C(O)C(O)C(O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3088167
Phase Preclinical
Structure Type MOL
InChI Key PHOHXNGTDPMTFB-UHFFFAOYSA-N
Parent Compound CHEMBL3139281
Active Moiety CHEMBL3139281
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

205.3
MW (Da)
2.96
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.73
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 C18H29NO6
MW 355.43
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.87

Literature References

PubMed DOI Target Context # Activities
24237039 10.1021/jm401340p Matrix protein 2 4
24237039 10.1021/jm401340p H3N2 subtype 2
24237039 10.1021/jm401340p Influenza A virus 2
24237039 10.1021/jm401340p MDCK 2
24237039 10.1021/jm401340p Unchecked 2
24237039 10.1021/jm401340p Influenza B virus 2
24237039 10.1021/jm401340p Human alphaherpesvirus 1 1
24237039 10.1021/jm401340p Human alphaherpesvirus 2 1
24237039 10.1021/jm401340p Vaccinia virus 1
24237039 10.1021/jm401340p Feline coronavirus 1
24237039 10.1021/jm401340p Human respirovirus 3 1
24237039 10.1021/jm401340p Respiratory syncytial virus 1
24237039 10.1021/jm401340p Vesicular stomatitis virus 1
24237039 10.1021/jm401340p Sindbis virus 1
24237039 10.1021/jm401340p Punta Toro virus 1
24237039 10.1021/jm401340p Coxsackievirus B4 1
24237039 10.1021/jm401340p Mammalian orthoreovirus 1 1

Data from ChEMBL 36 via Core Engine