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Compound Detail

CHEMBL3794178

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COc1ccc(-c2nnc3n(C)c(=O)c4ccccc4n23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3794178
Phase Preclinical
Structure Type MOL
InChI Key BOUHZOLMAUJOSX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
2.26
ALogP
6
HBA
0
HBD
61.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N4O2
MW 306.33
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.36

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