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Compound Detail

CHEMBL404231

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COc1cc(/C=C\c2cc(N)c(OC)c(N)c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL404231
Phase Preclinical
Structure Type MOL
InChI Key DSEBFHNYRZQEKH-WAYWQWQTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.06
ALogP
6
HBA
2
HBD
89.0
PSA (Ų)
0.62
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 C18H22N2O4
MW 330.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.32

Literature References

PubMed DOI Target Context # Activities
18303849 10.1021/np070377j Mus musculus 2
18303849 10.1021/np070377j NON-PROTEIN TARGET 2
18303849 10.1021/np070377j Unchecked 1
18303849 10.1021/np070377j BXPC-3 1
18303849 10.1021/np070377j MCF7 1
18303849 10.1021/np070377j SF-268 1
18303849 10.1021/np070377j NCI-H460 1
18303849 10.1021/np070377j KM-20L2 1
18303849 10.1021/np070377j DU-145 1
18303849 10.1021/np070377j P388 1

Data from ChEMBL 36 via Core Engine