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Compound Detail

CHEMBL3764665

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O=C1/C(=C/c2ccc3c(c2)OCO3)CC[C@@H]2[C@H]3CCCN4CCC[C@H](CN12)[C@@H]34
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764665
Phase Preclinical
Structure Type MOL
InChI Key BZBJEDJIVKQWAO-VFNPYHMYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
3.29
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.70
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 C23H28N2O3
MW 380.49
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.80

Literature References

PubMed DOI Target Context # Activities
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