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Compound Detail

CHEMBL4434678

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N#Cc1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4434678
Phase Preclinical
Structure Type MOL
InChI Key TWIWYHDFCRSDJD-SWLSCSKDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
3.17
ALogP
5
HBA
0
HBD
57.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12F3N5
MW 343.31
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
31077998 10.1016/j.ejmech.2019.04.053 High affinity nerve growth factor receptor 1

Data from ChEMBL 36 via Core Engine