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Compound Detail

CHEMBL393723

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Cc1cc(COc2ccc(CCCC3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393723
Phase Preclinical
Structure Type MOL
InChI Key LCCNKKCDBVJHEV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
3.82
ALogP
5
HBA
2
HBD
97.4
PSA (Ų)
0.55
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 C25H25N3O4
MW 431.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
17027261 10.1016/j.bmcl.2006.09.048 Disintegrin and metalloproteinase domain-containing protein 17 1

Data from ChEMBL 36 via Core Engine