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Compound Detail

CHEMBL1277433

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COc1cc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1277433
Phase Preclinical
Structure Type MOL
InChI Key KJLMMQQLDGIMTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

349.3
MW (Da)
4.41
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.76
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 C17H14F3N3O2
MW 349.31
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
21033670 10.1021/jm1009605 Calf thymus DNA 1
21033670 10.1021/jm1009605 Nucleic Acid 1
24530227 10.1016/j.bmc.2014.01.044 Dual specificity protein kinase CLK1 1
24530227 10.1016/j.bmc.2014.01.044 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
24530227 10.1016/j.bmc.2014.01.044 Unchecked 1
24530227 10.1016/j.bmc.2014.01.044 Glycogen synthase kinase-3 1
24530227 10.1016/j.bmc.2014.01.044 Cyclin-dependent kinase 5/CDK5 activator 1 1

Data from ChEMBL 36 via Core Engine