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Compound Detail

CHEMBL4167484

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COc1ccc(N)cc1-c1cnc(N)c(C(=O)c2cccnc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4167484
Phase Preclinical
Structure Type MOL
InChI Key WJYWQSXTQZIHBX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
1.94
ALogP
7
HBA
2
HBD
117.0
PSA (Ų)
0.56
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 C17H15N5O2
MW 321.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
30095246 10.1021/acs.jmedchem.7b01847 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 5
30095246 10.1021/acs.jmedchem.7b01847 Glycogen synthase kinase-3 beta 1
30095246 10.1021/acs.jmedchem.7b01847 Dual specificity protein kinase CLK2 1
30095246 10.1021/acs.jmedchem.7b01847 Homeodomain-interacting protein kinase 1 1
30095246 10.1021/acs.jmedchem.7b01847 Homeodomain-interacting protein kinase 2 1
30095246 10.1021/acs.jmedchem.7b01847 Cyclin-dependent kinase 7 1

Data from ChEMBL 36 via Core Engine