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Compound Detail

CHEMBL3091469

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COc1cc(N2CCOCC2)ccc1Nc1ncc2ccc(-c3ccccc3)cc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3091469
Phase Preclinical
Structure Type MOL
InChI Key NJYJBVKHXQGCRT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.89
ALogP
6
HBA
1
HBD
59.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N4O2
MW 412.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
24183538 10.1016/j.bmcl.2013.10.008 Dual specificity protein kinase TTK 1

Data from ChEMBL 36 via Core Engine