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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:167308
CAS Number: 5653-80-5
UNII: S95RZH8AMH
DrugBank ID: DB15198
TTD ID: D0QNS3

Repurposed Drugs (RPD)

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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.