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Compound Detail

CHEMBL4455435

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COc1ccc(S(=O)(=O)Nc2ccc(N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4455435
Phase Preclinical
Structure Type MOL
InChI Key GZXYXCXYJCTIEP-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

515.6
MW (Da)
5.24
ALogP
5
HBA
4
HBD
120.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25N3O5S
MW 515.59
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -0.70

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