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Compound Detail

CHEMBL3357199

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C=CC(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)O[C@@H](C)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357199
Phase Preclinical
Structure Type MOL
InChI Key KDOHSVFLLRKTMB-GWJCSSMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
2.92
ALogP
5
HBA
2
HBD
84.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25NO5
MW 347.41
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.60

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