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Compound Detail

CHEMBL382625

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O=C1C=CC[C@@H]2[C@H]3C[C@H](O)CN4CCC[C@@H](CN12)[C@@H]34
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382625
Phase Preclinical
Structure Type MOL
InChI Key HAPHBHKQJIPUEP-WHPHWUKISA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

262.4
MW (Da)
0.62
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.70
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 C15H22N2O2
MW 262.35
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 2.29

Activity Summary

IC50 1 meas.

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 Influenza A virus 1
26132528 10.1021/acs.jnatprod.5b00325 Vero 1
26132528 10.1021/acs.jnatprod.5b00325 Coxsackievirus B3 1
26132528 10.1021/acs.jnatprod.5b00325 Unchecked 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