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Compound Detail

CHEMBL221309

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CCOC(=O)c1cccc(NC(=N)NC(=N)N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL221309
Phase Preclinical
Structure Type MOL
InChI Key NYJGJFBBMAMSMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
0.69
ALogP
4
HBA
5
HBD
124.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N5O2
MW 249.27
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
16982193 10.1016/j.bmcl.2006.08.061 Integrin alpha-V/beta-3 1

Data from ChEMBL 36 via Core Engine