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Compound Detail

CHEMBL1935289

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CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3cc[nH]n3)cc12)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1935289
Phase Preclinical
Structure Type MOL
InChI Key IWDKAPBWRZOGPO-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
3.36
ALogP
5
HBA
3
HBD
125.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3O5S
MW 413.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
22153340 10.1016/j.bmcl.2011.11.046 Unchecked 2
22153340 10.1016/j.bmcl.2011.11.046 Macrophage metalloelastase 1

Data from ChEMBL 36 via Core Engine