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Compound Detail

CHEMBL5180729

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Cc1ccc(N)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5180729
Phase Preclinical
Structure Type MOL
InChI Key NDELYOFDDRWKLH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.15
ALogP
6
HBA
3
HBD
125.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N6O
MW 332.37
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
35880755 10.1021/acs.jmedchem.2c00552 Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase 1

Data from ChEMBL 36 via Core Engine