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Compound Detail

CHEMBL4059498

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C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4059498
Phase Preclinical
Structure Type MOL
InChI Key XWIGWRUXZIZMSL-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
4.54
ALogP
7
HBA
0
HBD
63.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26FN7
MW 467.55
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
28692292 10.1021/acs.jmedchem.7b00665 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
28692292 10.1021/acs.jmedchem.7b00665 Dual specificity protein kinase CLK1 1

Data from ChEMBL 36 via Core Engine