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Compound Detail

CHEMBL542237

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COc1cc2nc(Cl)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL542237
Phase Preclinical
Structure Type MOL
InChI Key CIXGFIGFKIGPAP-UHFFFAOYSA-N
Parent Compound CHEMBL1191175
Active Moiety CHEMBL1191175
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

405.8
MW (Da)
4.07
ALogP
8
HBA
1
HBD
84.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21Cl2N3O5
MW 442.30
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.60

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