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Compound Detail

CHEMBL4163106

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COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc2nc(CN(C)C)oc2c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4163106
Phase Preclinical
Structure Type MOL
InChI Key LVBZLTHFSNGRBN-IZHYLOQSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
4.61
ALogP
7
HBA
2
HBD
96.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24N4O4
MW 468.51
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
28826084 10.1016/j.ejmech.2017.08.031 Vascular endothelial growth factor receptor 2 1
28826084 10.1016/j.ejmech.2017.08.031 Platelet-derived growth factor receptor beta 1
28826084 10.1016/j.ejmech.2017.08.031 A549 1
28826084 10.1016/j.ejmech.2017.08.031 MCF7 1
28826084 10.1016/j.ejmech.2017.08.031 HT-29 1

Data from ChEMBL 36 via Core Engine