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Compound Detail

CHEMBL1814611

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COc1cc(N=C2c3ccccc3C(=O)c3ccccc32)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814611
Phase Preclinical
Structure Type MOL
InChI Key XDJCTTBPTKOFGZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
4.43
ALogP
5
HBA
0
HBD
57.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19NO4
MW 373.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
21705223 10.1016/j.bmc.2011.06.010 K562 1
21705223 10.1016/j.bmc.2011.06.010 Tubulin 1

Data from ChEMBL 36 via Core Engine