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Compound Detail

CHEMBL3792547

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COc1ccc(-c2nnc3[nH]c(=O)c4ccccc4n23)cc1OC

Basic Information

ChEMBL ID CHEMBL3792547
Phase Preclinical
Structure Type MOL
InChI Key URUUJIHTBZHLRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
2.25
ALogP
6
HBA
1
HBD
81.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N4O3
MW 322.32
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.00

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