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Compound Detail

CHEMBL107424

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COc1ccc(-c2nnc(O)n2-c2cc(OC)c(OC)c(OC)c2)cc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL107424
Phase Preclinical
Structure Type MOL
InChI Key SSKXPKXHOBZDPA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
2.26
ALogP
9
HBA
2
HBD
113.9
PSA (Ų)
0.63
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 C18H20N4O5
MW 372.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
9873694 10.1016/s0960-894x(98)00579-4 Colon 26 2
9873694 10.1016/s0960-894x(98)00579-4 Tubulin 1

Data from ChEMBL 36 via Core Engine