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Compound Detail

CHEMBL230100

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O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230100
Phase Preclinical
Structure Type MOL
InChI Key XEZZRJPPIDWCHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
2.94
ALogP
5
HBA
0
HBD
51.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O3
MW 374.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
17696418 10.1021/jm070361q HOP-62 1
17696418 10.1021/jm070361q SF-539 1
17696418 10.1021/jm070361q UACC-62 1
17696418 10.1021/jm070361q OVCAR-3 1
17696418 10.1021/jm070361q SN12C 1
17696418 10.1021/jm070361q DU-145 1
17696418 10.1021/jm070361q MDA-MB-435 1
27070999 10.1021/acs.jmedchem.6b00003 NON-PROTEIN TARGET 1
27070999 10.1021/acs.jmedchem.6b00003 DNA topoisomerase 1 1

Data from ChEMBL 36 via Core Engine