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Compound Detail

CHEMBL4552086

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COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OCCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4552086
Phase Preclinical
Structure Type MOL
InChI Key BSANUCTYPNQFRV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.28
ALogP
7
HBA
0
HBD
64.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O5
MW 410.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
27213819 10.1021/acs.jmedchem.6b00158 SK-OV-3 1
27213819 10.1021/acs.jmedchem.6b00158 HCT-116 1
27213819 10.1021/acs.jmedchem.6b00158 HepG2 1

Data from ChEMBL 36 via Core Engine