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Compound Detail

CHEMBL4758047

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c1n[nH]cc1-c1ccc2occ(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4758047
Phase Preclinical
Structure Type MOL
InChI Key AEZGFPSIGMHTQV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
6.35
ALogP
3
HBA
1
HBD
54.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N3O
MW 395.51
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.53

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