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Compound Detail

CHEMBL159660

ALPHAMETHADOL
🧪 Phase II
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🧪 Phase II
CC[C@@H](O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL159660
Name ALPHAMETHADOL
Phase Phase II
Structure Type MOL
InChI Key QIRAYNIFEOXSPW-YLJYHZDGSA-N

Known Names

Acscn-9605 Alfametadol Alphamethadol IDS-NA-010
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
4
Known Names

Molecular Properties

311.5
MW (Da)
4.08
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -adol

Extended Properties

Molecular Formula C21H29NO
MW 311.47
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.05

Activity Summary

Ki 2 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Opioid receptor
CHEMBL2094129
Ki 6.64 6.64 230.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
6268789 10.1021/jm00139a030 Opioid receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
7097722 10.1021/jm00348a016 Mu-type opioid receptor 1

Data from ChEMBL 36 via Core Engine