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Compound Detail

CHEMBL4640623

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O=C(Nc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4640623
Phase Preclinical
Structure Type MOL
InChI Key ITWDPQUEQDZJEZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
3.67
ALogP
6
HBA
3
HBD
95.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N6O2
MW 406.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.75

Literature References

PubMed DOI Target Context # Activities
32479083 10.1021/acs.jmedchem.0c00055 Mitogen-activated protein kinase kinase kinase 14 2

Data from ChEMBL 36 via Core Engine