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Compound Detail

CHEMBL2152093

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C=CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2152093
Phase Preclinical
Structure Type MOL
InChI Key RUXONRXGJGKSCU-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
2
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
2.89
ALogP
5
HBA
2
HBD
104.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N3O5S
MW 443.53
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.43

Pharmacokinetic Data

Parameter Value Units Species
T1/2 6.0 hr Mus musculus
T1/2 6.0 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
24900540 10.1021/ml3001352 Plasma 2
24900540 10.1021/ml3001352 Protein-glutamine gamma-glutamyltransferase 1

Data from ChEMBL 36 via Core Engine