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Compound Detail

CHEMBL543429

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COc1cc(Nc2ncnc3c(OC)c(OC)c(OC)cc23)cc(OC)c1OC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL543429
Phase Preclinical
Structure Type MOL
InChI Key AORDWUVOZGCMIZ-UHFFFAOYSA-N
Parent Compound CHEMBL389024
Active Moiety CHEMBL389024
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
3.43
ALogP
9
HBA
1
HBD
93.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24ClN3O6
MW 437.88
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.49

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