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Compound Detail

CHEMBL162877

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CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL162877
Phase Preclinical
Structure Type MOL
InChI Key UKAPQGUKOCYTKQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names

Molecular Properties

557.5
MW (Da)
3.79
ALogP
8
HBA
0
HBD
102.5
PSA (Ų)
0.45
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 C24H26Cl2N2O7S
MW 557.45
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -1.23

Activity Summary

Ki 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.3333 hr Homo sapiens
T1/2 0.2167 hr Homo sapiens
T1/2 0.08167 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
7877139 10.1021/jm00005a001 Homo sapiens 3
7877139 10.1021/jm00005a001 Neutrophil elastase 1
7877139 10.1021/jm00005a001 Cricetinae gen. sp. 1

Data from ChEMBL 36 via Core Engine