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Compound Detail

CHEMBL236928

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Oc1cc(Nc2ccnc3cc(-c4ccc(CN5CCOCC5)o4)c(Cl)cc23)c(Cl)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL236928
Phase Preclinical
Structure Type MOL
InChI Key ICDFHFQQEUUANP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

488.4
MW (Da)
6.22
ALogP
6
HBA
2
HBD
70.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20Cl2FN3O3
MW 488.35
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
17884497 10.1016/j.bmcl.2007.07.104 Proto-oncogene tyrosine-protein kinase receptor Ret 1

Data from ChEMBL 36 via Core Engine