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Compound Detail

CHEMBL3961970

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C=CC(=O)N[C@H]1CCCC[C@H]1n1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(C)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3961970
Phase Preclinical
Structure Type MOL
InChI Key LGXYJFNAKDSBLF-AZUAARDMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.5
MW (Da)
5.40
ALogP
4
HBA
2
HBD
76.0
PSA (Ų)
0.49
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 C25H25F3N4O2
MW 470.50
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
27433829 10.1021/acs.jmedchem.5b01985 Epidermal growth factor receptor 2

Data from ChEMBL 36 via Core Engine