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Compound Detail

CHEMBL1956400

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C=C(C(=O)OCCCBr)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1956400
Phase Preclinical
Structure Type MOL
InChI Key KUNIPSCCVPENGG-GLQYFDAESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

369.3
MW (Da)
4.21
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.32
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25BrO3
MW 369.30
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 1.93

Literature References

PubMed DOI Target Context # Activities
22341943 10.1016/j.bmcl.2012.01.056 Influenza A virus 2
22341943 10.1016/j.bmcl.2012.01.056 MDCK 1
22341943 10.1016/j.bmcl.2012.01.056 Influenza B virus 1

Data from ChEMBL 36 via Core Engine