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Compound Detail

CHEMBL1161995

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CN1CCNCC1C12CC3CC(CC(C3)C1)C2.O=C(O)/C=C\C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1161995
Phase Preclinical
Structure Type MOL
InChI Key YGMUOBCDNGBECR-BTJKTKAUSA-N
Parent Compound CHEMBL1199885
Active Moiety CHEMBL1199885
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

234.4
MW (Da)
2.11
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H30N2O4
MW 350.46
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.42

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17113287 10.1016/j.bmcl.2006.10.092 Influenza A virus 1
17113287 10.1016/j.bmcl.2006.10.092 MDCK 1
17113287 10.1016/j.bmcl.2006.10.092 Influenza B virus 1

Data from ChEMBL 36 via Core Engine