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Compound Detail

CHEMBL264947

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CS(=O)(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL264947
Phase Preclinical
Structure Type MOL
InChI Key GAHWSTZNKNYMGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
2.14
ALogP
3
HBA
0
HBD
57.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28N2O3S
MW 364.51
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
18333608 10.1021/jm701500e Unchecked 6
18333608 10.1021/jm701500e Cruzipain 2
- 10.6019/CHEMBL5305021 Aminopeptidase 1

Data from ChEMBL 36 via Core Engine