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Compound Detail

CHEMBL4471009

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COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)[C@@H](N)/C=C\C[C@H](C)OC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4471009
Phase Preclinical
Structure Type MOL
InChI Key OREQLGSRSGABHU-OPEBIDFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
2.29
ALogP
7
HBA
4
HBD
122.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25NO6
MW 399.44
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.41

Literature References

PubMed DOI Target Context # Activities
31513411 10.1021/acs.jmedchem.9b01025 Vascular endothelial growth factor receptor 2 2
31513411 10.1021/acs.jmedchem.9b01025 Vascular endothelial growth factor receptor 3 2
31513411 10.1021/acs.jmedchem.9b01025 Receptor-type tyrosine-protein kinase FLT3 2
31513411 10.1021/acs.jmedchem.9b01025 BaF3 1

Data from ChEMBL 36 via Core Engine