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Compound Detail

CHEMBL2164096

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CCCCNc1nc(NC2CCCC2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(CCC)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2164096
Phase Preclinical
Structure Type MOL
InChI Key LVAUREZRKLTFCJ-JOCHJYFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

515.7
MW (Da)
4.34
ALogP
8
HBA
3
HBD
112.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H41N7O2S
MW 515.73
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
22891645 10.1021/jm300449x A disintegrin and metalloproteinase with thrombospondin motifs 5 1

Data from ChEMBL 36 via Core Engine