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Compound Detail

CHEMBL2104951

ALADORIAN
🧪 Phase II
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🧪 Phase II
COc1ccc2c(c1)CN(C(=O)C(=O)O)CCS2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2104951
Name ALADORIAN
Phase Phase II
Structure Type MOL
InChI Key FPWBHFYYVSNIFZ-UHFFFAOYSA-N

Known Names

Aladorian ARM-036 ARM036 S-36 S-44121-1 S-441211 S36 S44121-1
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
8
Known Names

Molecular Properties

267.3
MW (Da)
1.21
ALogP
4
HBA
1
HBD
66.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -rian
USAN Year 2011

Extended Properties

Molecular Formula C12H13NO4S
MW 267.31
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.94

Activity Summary

EC50 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ryanodine receptor 2
CHEMBL4403
 EC50 7.82 7.82 15.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ryanodine receptor 2 EC50 = 15.0 nM 7.82 Induction of FKBP12.6 re-binding to PKA-phosphorylated-RyR2 (unknown origin) aft... -

Literature References

PubMed DOI Target Context # Activities
37991191 10.1021/acs.jmedchem.3c01235 Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 5
37991191 10.1021/acs.jmedchem.3c01235 Ryanodine receptor 2 2
37991191 10.1021/acs.jmedchem.3c01235 ADMET 1
37991191 10.1021/acs.jmedchem.3c01235 Unchecked 1

Data from ChEMBL 36 via Core Engine