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Compound Detail

CHEMBL2163737

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C=CCCNc1nc(NCc2csc(-c3ccccc3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)C2CC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2163737
Phase Preclinical
Structure Type MOL
InChI Key MIQMZBDYWOVVGQ-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

540.7
MW (Da)
3.65
ALogP
10
HBA
3
HBD
125.0
PSA (Ų)
0.22
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 C25H32N8O2S2
MW 540.72
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.42

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