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Compound Detail

CHEMBL2042392

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CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(N2CCCCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2042392
Phase Preclinical
Structure Type MOL
InChI Key GQOWXUNROOQLNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

471.7
MW (Da)
4.77
ALogP
4
HBA
2
HBD
78.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H37N3O3S
MW 471.67
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
22169633 10.1016/j.bmc.2011.11.008 Transient receptor potential cation channel subfamily V member 1 3

Data from ChEMBL 36 via Core Engine