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Compound Detail

CHEMBL3765047

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CCOc1cc(/C=C2\CC[C@@H]3[C@H]4CCCN5CCC[C@H](CN3C2=O)[C@@H]45)ccc1OCOC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3765047
Phase Preclinical
Structure Type MOL
InChI Key MWKMUUKRMLDLES-CAZZSPJWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
3.95
ALogP
5
HBA
0
HBD
51.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36N2O4
MW 440.58
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 0.56

Literature References

PubMed DOI Target Context # Activities
26865176 10.1016/j.bmcl.2015.09.010 NON-PROTEIN TARGET 1
26865176 10.1016/j.bmcl.2015.09.010 KB 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