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Compound Detail

CHEMBL2010855

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Cc1ccc(S(=O)(=O)OCC(COS(=O)(=O)c2ccc(C)cc2)C(=O)N(Cc2ccccc2)[C@@H](CC(C)C)C(=O)NCC(=O)OCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2010855
Phase Preclinical
Structure Type MOL
InChI Key QTIMRUWNVDOXTM-QNGWXLTQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

779.0
MW (Da)
5.33
ALogP
10
HBA
1
HBD
162.4
PSA (Ų)
0.10
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H46N2O10S2
MW 778.95
Aromatic Rings 4
Heavy Atoms 54
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
22128876 10.1021/jm201359d NON-PROTEIN TARGET 1
22128876 10.1021/jm201359d EMT6 1
22128876 10.1021/jm201359d Unchecked 1

Data from ChEMBL 36 via Core Engine