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Compound Detail

CHEMBL544836

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

Basic Information

ChEMBL ID CHEMBL544836
Phase Preclinical
Structure Type MOL
InChI Key UJCCTEBUSGVHOF-UHFFFAOYSA-N
Parent Compound CHEMBL1193431
Active Moiety CHEMBL1193431
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
4.02
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.76
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 C19H22ClN3O3
MW 375.86
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.86

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