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Compound Detail

CHEMBL5420893

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O=C(Nc1cccc(C(=O)Nc2cc(S(=O)(=O)O)cc3ccc(S(=O)(=O)O)cc23)c1)Nc1cccc(C(=O)Nc2cc(S(=O)(=O)O)cc3ccc(S(=O)(=O)O)cc23)c1

Basic Information

ChEMBL ID CHEMBL5420893
Phase Preclinical
Structure Type MOL
InChI Key USRHUROQMNKWRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

870.9
MW (Da)
5.13
ALogP
11
HBA
8
HBD
316.8
PSA (Ų)
0.08
QED
4
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H26N4O15S4
MW 870.87
Aromatic Rings 6
Heavy Atoms 58
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
37517101 10.1016/j.bmc.2023.117424 Metalloproteinase inhibitor 3 1

Data from ChEMBL 36 via Core Engine