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Compound Detail

CHEMBL3357197

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C/C=C/C(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357197
Phase Preclinical
Structure Type MOL
InChI Key OIYXEXDTZFSZSM-KQQUZDAGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
2.67
ALogP
5
HBA
2
HBD
84.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23NO5
MW 333.38
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.36

Literature References

PubMed DOI Target Context # Activities
25456387 10.1016/j.bmc.2014.10.006 Receptor-type tyrosine-protein kinase FLT3 3
25456387 10.1016/j.bmc.2014.10.006 MV4-11 1

Data from ChEMBL 36 via Core Engine