Details of the Drug

General Information of Drug (ID: DMMO0SU)

Drug Name

Dersimelagon

Synonyms

Dersimelagon; 1835256-48-8; Dersimelagon [INN]; Dersimelagon [USAN]; MT-7117; 1CWH5SV4G2; 1-(2-((3S,4R)-1-((3R,4R)-1-Cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl)-4-(methoxymethyl)pyrrolidin-3-yl)-5-(trifluoromethyl)phenyl)piperidine-4-carboxylic acid; Dersimelagon [USAN:INN]; UNII-1CWH5SV4G2; DERSIMELAGON [WHO-DD]; CHEMBL4802160; SCHEMBL18686769; MUNWOYRHJPWQNE-GMFUQMJFSA-N; WHO 10832; AKOS040746751; AC-36942; HY-109114; CS-0077733; 4-PIPERIDINECARBOXYLIC ACID, 1-(2-((3S,4R)-1-(((3R,4R)-1-CYCLOPENTYL-3-FLUORO-4-(4-METHOXYPHENYL)-3-PYRROLIDINYL)CARBONYL)-4-(METHOXYMETHYL)-3-PYRROLIDINYL)-5- (TRIFLUOROMETHYL)PHENYL)-

Indication

Disease Entry	ICD 11	Status	REF
Erythropoietic protoporphyria	5C58.12	Phase 3	[1]
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Drug Type

Small molecule

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C36H45F4N3O5
Canonical SMILES: COCC1CN(CC1C2=C(C=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O)C(=O)C4(CN(CC4C5=CC=C(C=C5)OC)C6CCCC6)F
InChI: InChI=1S/C36H45F4N3O5/c1-47-21-25-18-42(19-30(25)29-12-9-26(36(38,39)40)17-32(29)41-15-13-24(14-16-41)33(44)45)34(46)35(37)22-43(27-5-3-4-6-27)20-31(35)23-7-10-28(48-2)11-8-23/h7-12,17,24-25,27,30-31H,3-6,13-16,18-22H2,1-2H3,(H,44,45)/t25-,30+,31+,35+/m1/s1
InChIKey: MUNWOYRHJPWQNE-GMFUQMJFSA-N

Cross-matching ID

PubChem CID: 126736894
TTD ID: D7M3WV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Melanocortin receptor 1 (MC1R)	TT0MV2T	MSHR_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Erythropoietic protoporphyria

ICD Disease Classification

5C58.12

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Melanocortin receptor 1 (MC1R)	DTT	MC1R	1.44E-06	0.41	2.15

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	ClinicalTrials.gov (NCT04402489) A Phase 3, Multicenter, Randomized, Double-Blind, Placebo-Controlled Study to Evaluate Efficacy, Safety, and Tolerability of MT-7117 in Adults and Adolescents With Erythropoietic Protoporphyria or X-Linked Protoporphyria. U.S.National Institutes of Health.
2	Dersimelagon, a novel oral melanocortin 1 receptor agonist, demonstrates disease-modifying effects in preclinical models of systemic sclerosis. Arthritis Res Ther. 2022 Sep 1;24(1):210.