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Compound Detail

CHEMBL4757803

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O=c1c2ccc(N3CCC(N4CCOCC4)CC3)cc2[nH]c2[nH]c3ccccc3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4757803
Phase Preclinical
Structure Type MOL
InChI Key FYJKQPSUAIDBAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
3.46
ALogP
4
HBA
2
HBD
64.4
PSA (Ų)
0.54
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 C24H26N4O2
MW 402.50
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
33185101 10.1021/acs.jmedchem.0c01550 ALK tyrosine kinase receptor 1

Data from ChEMBL 36 via Core Engine