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Compound Detail

CHEMBL3600396

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CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4CCC(C)CC4)ccc2-3)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3600396
Phase Preclinical
Structure Type MOL
InChI Key FKQXGAXBQYVZAO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

502.7
MW (Da)
3.74
ALogP
5
HBA
0
HBD
91.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N2O5S2
MW 502.66
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
26182238 10.1021/acs.jmedchem.5b00460 Unchecked 1

Data from ChEMBL 36 via Core Engine