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Compound Detail

CHEMBL2403140

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C#Cc1cccc(Nc2nc3cccc(C(=O)O)c3n3cccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2403140
Phase Preclinical
Structure Type MOL
InChI Key DTGASMUVQHPLDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
3.91
ALogP
4
HBA
2
HBD
66.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13N3O2
MW 327.34
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
23711832 10.1016/j.ejmech.2013.04.051 Casein kinase II 2

Data from ChEMBL 36 via Core Engine