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Compound Detail

CHEMBL254392

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O=C1NCCc2[nH]c(-c3ccccc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254392
Phase Preclinical
Structure Type MOL
InChI Key XYWBECNOAGWDMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
1.97
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O
MW 212.25
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
35104640 10.1016/j.bmcl.2022.128588 Serine/threonine-protein kinase N2 2
35104640 10.1016/j.bmcl.2022.128588 Serine/threonine-protein kinase N1 2
18201066 10.1021/jm700956r Cell division cycle 7-related protein kinase 1
35104640 10.1016/j.bmcl.2022.128588 Unchecked 1

Data from ChEMBL 36 via Core Engine