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Compound Detail

CHEMBL4747210

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Cn1cc(-c2ccc3occ(-c4ccc(C(C)(C)C)cc4)c3n2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4747210
Phase Preclinical
Structure Type MOL
InChI Key VQJUNEANVUYHDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
5.19
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3O
MW 331.42
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
33636538 10.1016/j.ejmech.2021.113299 Dual specificity protein kinase CLK1 1
33636538 10.1016/j.ejmech.2021.113299 Dual specificity protein kinase CLK2 1
33636538 10.1016/j.ejmech.2021.113299 Dual specificity protein kinase CLK3 1
33636538 10.1016/j.ejmech.2021.113299 Dual specificity protein kinase CLK4 1
33636538 10.1016/j.ejmech.2021.113299 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
33636538 10.1016/j.ejmech.2021.113299 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 1
33636538 10.1016/j.ejmech.2021.113299 Dual specificity tyrosine-phosphorylation-regulated kinase 2 1
33636538 10.1016/j.ejmech.2021.113299 Homeodomain-interacting protein kinase 1 1
33636538 10.1016/j.ejmech.2021.113299 Homeodomain-interacting protein kinase 2 1
33636538 10.1016/j.ejmech.2021.113299 Homeodomain-interacting protein kinase 3 1

Data from ChEMBL 36 via Core Engine