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Compound Detail

CHEMBL4561918

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

Basic Information

ChEMBL ID CHEMBL4561918
Phase Preclinical
Structure Type MOL
InChI Key FIAZFHBFEKZDDU-QFIPXVFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
4.56
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.45
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 C23H26N2O5S
MW 442.54
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.79

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