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Compound Detail

CHEMBL1224819

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CC(C)C[C@H]1C(=O)N(COC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)S(=O)(=O)N1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1224819
Phase Preclinical
Structure Type MOL
InChI Key GEWXMYBCLPEJAY-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

514.4
MW (Da)
4.21
ALogP
6
HBA
1
HBD
96.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25Cl2N3O5S
MW 514.43
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
20728366 10.1016/j.bmc.2010.07.071 Neutrophil elastase 2
20728366 10.1016/j.bmc.2010.07.071 Myeloblastin 1
26358162 10.1016/j.bmcl.2015.08.049 Neutrophil elastase 1

Data from ChEMBL 36 via Core Engine