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Compound Detail

CHEMBL4465581

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COc1ccc(S(=O)(=O)Nc2ccc(N[C@@H](Cc3ccc(O)cc3)C(=O)O)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4465581
Phase Preclinical
Structure Type MOL
InChI Key OBJQDSKJODWDEL-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
4.46
ALogP
6
HBA
4
HBD
125.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N2O6S
MW 492.55
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
31283229 10.1021/acs.jmedchem.9b00818 Kelch-like ECH-associated protein 1 1

Data from ChEMBL 36 via Core Engine