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Compound Detail

CHEMBL5286520

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CCOc1ccc2nc(N3CCCN(C(=S)Nc4ccccc4F)CC3)c(C#N)cc2c1

Basic Information

ChEMBL ID CHEMBL5286520
Phase Preclinical
Structure Type MOL
InChI Key RQXUPDSAFGWKMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
4.55
ALogP
5
HBA
1
HBD
64.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24FN5OS
MW 449.56
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -2.25

Literature References

PubMed DOI Target Context # Activities
36876904 10.1021/acs.jmedchem.2c02068 Cyclin-dependent kinase 5/CDK5 activator 1 1
36876904 10.1021/acs.jmedchem.2c02068 Casein kinase I isoform epsilon 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity protein kinase CLK1 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity protein kinase CLK2 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity protein kinase CLK3 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity protein kinase CLK4 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity tyrosine-phosphorylation-regulated kinase 2 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity tyrosine-phosphorylation-regulated kinase 3 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity tyrosine-phosphorylation-regulated kinase 4 1
36876904 10.1021/acs.jmedchem.2c02068 Glycogen synthase kinase-3 beta 1
36876904 10.1021/acs.jmedchem.2c02068 HT-22 1

Data from ChEMBL 36 via Core Engine