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Compound Detail

CHEMBL3793564

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COc1cc(-c2nnc3[nH]c(=O)c4ccccc4n23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3793564
Phase Preclinical
Structure Type MOL
InChI Key XYPIMIOOXQLPBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
2.26
ALogP
7
HBA
1
HBD
90.7
PSA (Ų)
0.61
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 C18H16N4O4
MW 352.35
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
27031215 10.1016/j.ejmech.2016.03.056 HT-29 1
27031215 10.1016/j.ejmech.2016.03.056 Tubulin 1

Data from ChEMBL 36 via Core Engine