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Compound Detail

CHEMBL3818536

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Cc1ccc(C(=O)c2cc(OCCCCNC(=O)C[C@H](NC(=O)c3ccc(N=[N+]=[N-])cc3)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c(O)c([N+](=O)[O-])c2)cc1

Basic Information

ChEMBL ID CHEMBL3818536
Phase Preclinical
Structure Type MOL
InChI Key MXDUWFMZQIPMLJ-OBOSXGBYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1033.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H64N10O13S
MW 1033.17

Literature References

PubMed DOI Target Context # Activities
27074629 10.1021/acs.jmedchem.5b01970 Catechol O-methyltransferase 1

Data from ChEMBL 36 via Core Engine