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Compound Detail

CHEMBL2260848

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O=C(c1ccc2c(c1)sc(=O)n2CCN1CCCCC1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2260848
Phase Preclinical
Structure Type MOL
InChI Key XDJFUQWFETYYAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.14
ALogP
5
HBA
0
HBD
42.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N2O2S
MW 330.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-005-0131-1 Unchecked 2
- 10.1007/s00044-005-0131-1 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine