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Compound Detail

CHEMBL4464426

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CCCc1c(C#Cc2cnc3cnccn23)cccc1C(=O)Nc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4464426
Phase Preclinical
Structure Type MOL
InChI Key YBOZIGGANROIBK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

560.6
MW (Da)
5.10
ALogP
6
HBA
1
HBD
65.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H31F3N6O
MW 560.62
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
31271959 10.1016/j.ejmech.2019.06.064 High affinity nerve growth factor receptor 1
31271959 10.1016/j.ejmech.2019.06.064 BDNF/NT-3 growth factors receptor 1
31271959 10.1016/j.ejmech.2019.06.064 NT-3 growth factor receptor 1
31271959 10.1016/j.ejmech.2019.06.064 Tyrosine-protein kinase ABL1 1

Data from ChEMBL 36 via Core Engine