Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5409315

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc2c(c1)CN(CCCCC1(O)CC1)CCS2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5409315
Phase Preclinical
Structure Type MOL
InChI Key OJFKKRYGFRXUME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

307.5
MW (Da)
3.30
ALogP
4
HBA
1
HBD
32.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25NO2S
MW 307.46
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.24

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.0008333 hr Mus musculus

Literature References

PubMed DOI Target Context # Activities
37991191 10.1021/acs.jmedchem.3c01235 Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 4
37991191 10.1021/acs.jmedchem.3c01235 ADMET 1
37991191 10.1021/acs.jmedchem.3c01235 Unchecked 1
37991191 10.1021/acs.jmedchem.3c01235 Ryanodine receptor 2 1

Data from ChEMBL 36 via Core Engine