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Compound Detail

CHEMBL555844

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COc1cc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL555844
Phase Preclinical
Structure Type MOL
InChI Key VWNXOBPPYSSZCV-UHFFFAOYSA-N
Parent Compound CHEMBL1196064
Active Moiety CHEMBL1196064
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
3.23
ALogP
7
HBA
1
HBD
68.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23ClN4O3
MW 402.88
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00034-6 Tyrosine-protein kinase Lck 1
- 10.1016/S0960-894X(97)00034-6 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine