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Compound Detail

CHEMBL2203533

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O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2203533
Phase Preclinical
Structure Type MOL
InChI Key DBBVGZKEJUDYAH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
4.11
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.75
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 C21H21N3O2
MW 347.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
23256033 10.1021/ml300246r Unchecked 1
23256033 10.1021/ml300246r Serine/threonine-protein kinase 33 1

Data from ChEMBL 36 via Core Engine