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Compound Detail

CHEMBL4848005

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O=C1Nc2ccccc2/C1=C/c1ccc(-c2cn(-c3cccc(Cl)c3)nn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4848005
Phase Preclinical
Structure Type MOL
InChI Key RYMMABXZXPTDNO-NDENLUEZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

398.9
MW (Da)
5.08
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15ClN4O
MW 398.85
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
33340911 10.1016/j.ejmech.2020.113083 Vascular endothelial growth factor receptor 2 1
33340911 10.1016/j.ejmech.2020.113083 HT-29 1
33340911 10.1016/j.ejmech.2020.113083 MKN-45 1
33340911 10.1016/j.ejmech.2020.113083 HUVEC 1

Data from ChEMBL 36 via Core Engine