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Compound Detail

CHEMBL241049

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Cc1cc(COc2ccc(CC(=O)NCC3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL241049
Phase Preclinical
Structure Type MOL
InChI Key UWMXPCNJHOQMSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
2.15
ALogP
6
HBA
3
HBD
126.5
PSA (Ų)
0.46
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 C25H24N4O5
MW 460.49
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.84

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