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Compound Detail

CHEMBL3330028

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[N-]=[N+]=NCC/C(=C(\c1ccccc1)c1ccc(OCCO)cc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330028
Phase Preclinical
Structure Type MOL
InChI Key XDFRJOYSEGRKGS-VHXPQNKSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
5.72
ALogP
3
HBA
1
HBD
78.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N3O2
MW 385.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
25164760 10.1016/j.ejmech.2014.08.050 MCF7 3
25164760 10.1016/j.ejmech.2014.08.050 MDA-MB-231 2

Data from ChEMBL 36 via Core Engine