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Compound Detail

CHEMBL450015

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COc1cc(Nc2ncnc3nc4cc(OC)c(OC)cc4cc23)c(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL450015
Phase Preclinical
Structure Type MOL
InChI Key BEUFIPIFFFNNKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.3
MW (Da)
5.25
ALogP
7
HBA
1
HBD
78.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16Cl2N4O3
MW 431.28
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
12941315 10.1016/s0960-894x(03)00628-0 Proto-oncogene tyrosine-protein kinase Src 2

Data from ChEMBL 36 via Core Engine