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Compound Detail

CHEMBL3633285

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COc1ccc(C(=O)OCCN(C(C)C)C(C)C)cc1NC(=O)Nc1cc(-c2cnn(C)c2)ccc1OC(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633285
Phase Preclinical
Structure Type MOL
InChI Key JCCYQLZMSWSMHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

577.6
MW (Da)
5.91
ALogP
8
HBA
2
HBD
107.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34F3N5O5
MW 577.60
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
26342134 10.1016/j.ejmech.2015.08.045 Vascular endothelial growth factor receptor 2 1
26342134 10.1016/j.ejmech.2015.08.045 NON-PROTEIN TARGET 1
26342134 10.1016/j.ejmech.2015.08.045 A549 1

Data from ChEMBL 36 via Core Engine