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Compound Detail

CHEMBL204747

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O=C1CCC[C@@H]2[C@H]3C[C@H](O)CN4CCC[C@@H](CN12)[C@@H]34
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204747
Phase Preclinical
Structure Type MOL
InChI Key JTWPUVIWKODBID-WHPHWUKISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

264.4
MW (Da)
0.84
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H24N2O2
MW 264.37
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 1.52

Literature References

PubMed DOI Target Context # Activities
16364643 10.1016/j.bmcl.2005.11.073 Hepatitis B virus 4
16364643 10.1016/j.bmcl.2005.11.073 HepG2 1
26132528 10.1021/acs.jnatprod.5b00325 Coxsackievirus B3 1
26132528 10.1021/acs.jnatprod.5b00325 Influenza A virus 1
26865176 10.1016/j.bmcl.2015.09.010 KB 1
26865176 10.1016/j.bmcl.2015.09.010 NON-PROTEIN TARGET 1
26865176 10.1016/j.bmcl.2015.09.010 MDA-MB-231 1
26865176 10.1016/j.bmcl.2015.09.010 MCF7 1
26865176 10.1016/j.bmcl.2015.09.010 A549 1

Data from ChEMBL 36 via Core Engine