Details of the Drug

General Information of Drug (ID: DM34GOF)

Drug Name
REL-1017
Synonyms
Dextromethadone; d-Methadone; S-Methadone; (S)-methadone; (+)-Methadone; S-(+)-Methadone; 6S-Methadone; 5653-80-5; L-(+)-Methadone; (6S)-Methadone; l-Methadone; (S)-(+)-Methadone; UNII-S95RZH8AMH; d-6-(Dimethylamino)-4,4-diphenyl-3-heptanone; S95RZH8AMH; (S)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone; CHEMBL350719; (S)-6-(dimethylamino)-4,4-diphenylheptan-3-one; 3-14-00-00279 (Beilstein Handbook Reference); Methadone, (+)-; BRN 3213667; (+)-(S)-Methadone; (+)-(6S)-Methadone; SCHEMBL24294; (6S)-6-(dimethylamino)-4,4-diphenylheptan-3-one; CHEBI:167308; 3-HEPTANONE, 6-(DIMETHYLAMINO)-4,4-DIPHENYL-, (S)-; ZINC1530707; BDBM50223640; DB15198; SB18896; (S)-6-Dimethylamino4,4-diphenylheptan-3-on; Q15634047; (+)-(S)-6-(dimethylamino)-4,4-diphenyl-3-heptanone; 3-heptanone, 6-(dimethylamino)-4,4-diphenyl-, (6S)-; UNII-UC6VBE7V1Z component USSIQXCVUWKGNF-KRWDZBQOSA-N; UNII-UC6VBE7V1Z component USSIQXCVUWKGNF-QGZVFWFLSA-N; 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, (6S)- (9CI); 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, (S)- (8CI)
Indication
Disease Entry ICD 11 Status REF
Major depressive disorder 6A70.3 Phase 3 [1]
Neuropathic pain 8E43.0 Phase 1 [2]
ATC Code
N07BC02: REL-1017
N07BC: Drugs used in opioid dependence
N07B: DRUGS USED IN ADDICTIVE DISORDERS
N07: OTHER NERVOUS SYSTEM DRUGS
N: NERVOUS SYSTEM
N07BC02: REL-1017
N07BC: Drugs used in opioid dependence
N07B: DRUGS USED IN ADDICTIVE DISORDERS
N07: OTHER NERVOUS SYSTEM DRUGS
N: NERVOUS SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 309.4
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C21H27NO
IUPAC Name
(6S)-6-(dimethylamino)-4,4-diphenylheptan-3-one
Canonical SMILES
CCC(=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m0/s1
InChIKey
USSIQXCVUWKGNF-KRWDZBQOSA-N
Cross-matching ID
PubChem CID
643985
ChEBI ID
CHEMBL167308
CAS Number
5653-80-5
UNII
S95RZH8AMH
DrugBank ID
DB15198
TTD ID
D0QNS3
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
N-methyl-D-aspartate receptor (NMDAR) TT9IK2Z NOUNIPROTAC Antagonist [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT04855760) Open Label Study to Assess the Safety of REL-1017 for Major Depressive Disorder (RELIANCE-OLS). U.S. National Institutes of Health.
2 ClinicalTrials.gov (NCT03638869) Safety, Tolerability, and Pharmacokinetics of Multiple Ascending Doses of REL-1017 (d-Methadone). U.S. National Institutes of Health.
3 N-Methyl-D-aspartate receptor antagonist d-methadone produces rapid, mTORC1-dependent antidepressant effects. Neuropsychopharmacology. 2019 Dec;44(13):2230-2238.