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Compound Detail

CHEMBL159659

LEVOMETHADONE
🧪 Phase II
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🧪 Phase II
CCC(=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL159659
Name LEVOMETHADONE
Phase Phase II
Structure Type MOL
InChI Key USSIQXCVUWKGNF-QGZVFWFLSA-N

Known Names

(-)-methadone (6r)-methadone (r)-methadone D-(-)-methadone L-methadone L-polamivet Levadone Levometadona Levomethadone Levothyl Methadone, l- Polamivet +1 more
1
Targets
2
Activities
1
Assay Types
6
PK Parameters
5
Publications
13
Known Names
2
Indications

Molecular Properties

309.4
MW (Da)
4.29
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C21H27NO
MW 309.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.20

Indications

Substance-Related Disorders Opioid-Related Disorders

ATC Classification

N07BC05
levomethadone
Level 1: NERVOUS SYSTEM
Level 2: OTHER NERVOUS SYSTEM DRUGS

Activity Summary

Ki 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Opioid receptor
CHEMBL2094129
 Ki 8.7 7.905 2.0 2

Pharmacokinetic Data

Parameter Value Units Species
AUC 5540.0 ng.hr.mL-1 Homo sapiens
AUC 4300.0 ng.hr.mL-1 Homo sapiens
Cmax 1040.56 nM Homo sapiens
Cmax 827.27 nM Homo sapiens
F 92.0 % Homo sapiens
Tmax 1.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Opioid receptor Ki = 2.0 nM 8.7 Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane i... 6268789
Opioid receptor Ki = 77.0 nM 7.11 Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid re... 6268789

Literature References

PubMed DOI Target Context # Activities
17074798 10.1128/aac.00559-06 Homo sapiens 6
6268789 10.1021/jm00139a030 Opioid receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
7097722 10.1021/jm00348a016 Mu-type opioid receptor 1
17870541 10.1016/j.bmc.2007.08.060 Homo sapiens 1

Data from ChEMBL 36 via Core Engine