Details of the Drug

General Information of Drug (ID: DMSH20P)

Drug Name

ORP-101

Synonyms

Buprenorphine dimer; ORP-101; SE6KE496VO; UNII-SE6KE496VO; 1820753-68-1; 6,14-Ethenomorphinan-7-methanol, 3,3'-(1,2-ethanediylbis(oxy))bis(17-(cyclopropylmethyl)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-6-methoxy-alpha-methyl-, (alphaS,5alpha,7alpha)-(alpha'S,5'alpha,7'alpha)-; CHEMBL4594402; SCHEMBL19231198; EX-A6870; 6,14-ETHENOMORPHINAN-7-METHANOL, 3,3'-(1,2-ETHANEDIYLBIS(OXY))BIS(17-(CYCLOPROPYLMETHYL)-.ALPHA.-(1,1-DIMETHYLETHYL)-4,5-EPOXY-18,19-DIHYDRO-6-METHOXY-.ALPHA.-METHYL-, (.ALPHA.S,5.ALPHA.,7.ALPHA.)-(.ALPHA.'S,5'.ALPHA.,7'.ALPHA.)-

Indication

Disease Entry	ICD 11	Status	REF
Irritable bowel syndrome	DD91.0	Phase 2	[1]

Drug Type

Small molecule

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C60H84N2O8
Canonical SMILES: CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OCCOC7=C8C9=C(CC1C23C9(CCN1CC1CC1)C(O8)C(CC2)(C(C3)C(C)(C(C)(C)C)O)OC)C=C7)O4)CC1CC1)OC)O
InChI: InChI=1S/C60H84N2O8/c1-51(2,3)53(7,63)41-31-55-19-21-59(41,65-9)49-57(55)23-25-61(33-35-11-12-35)43(55)29-37-15-17-39(47(69-49)45(37)57)67-27-28-68-40-18-16-38-30-44-56-20-22-60(66-10,42(32-56)54(8,64)52(4,5)6)50-58(56,46(38)48(40)70-50)24-26-62(44)34-36-13-14-36/h15-18,35-36,41-44,49-50,63-64H,11-14,19-34H2,1-10H3/t41-,42-,43-,44-,49-,50-,53+,54+,55-,56-,57+,58+,59-,60-/m1/s1
InChIKey: LEQOVFCHMOTJKU-WJVXOHEGSA-N

Cross-matching ID

PubChem CID: 92042890
UNII: SE6KE496VO
DrugBank ID: DB16072
TTD ID: DW7OF1

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor kappa (OPRK1)	TTQW87Y	OPRK_HUMAN	Inhibitor	[2]
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Inhibitor	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Irritable bowel syndrome

ICD Disease Classification

DD91.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Opioid receptor kappa (OPRK1)	DTT	OPRK1	9.17E-01	0.04	0.1

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT04129619) A Double-Blind, Placebo-Controlled, Phase 2, Responsive Adaptive Randomization Study of ORP-101 in Patients With Irritable Bowel Syndrome With Diarrhea (IBS-D). U.S.National Institutes of Health.
2	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2023. Adis Insight