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Compound Detail

CHEMBL2349451

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O=C1OC2(CCN(Cc3ccccc3)CC2)c2c(-c3ccc(-c4ccccc4)cc3)sc(-c3ccc(-c4ccccc4)cc3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2349451
Phase Preclinical
Structure Type MOL
InChI Key VUUZYEKQYFQPPB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

603.8
MW (Da)
10.08
ALogP
4
HBA
0
HBD
29.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H33NO2S
MW 603.79
Aromatic Rings 6
Heavy Atoms 45
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
23462714 10.1016/j.bmc.2013.01.038 Unchecked 1
23462714 10.1016/j.bmc.2013.01.038 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine