Drug Information

Drug General Information
Drug ID
D05NBD
Former ID
DIB011000
Drug Name
MONTIRELIN TETRAHYDRATE
Synonyms
NS-3; Montirelin tetrahydrate < Rec INNM >; Remnos (Nippon Shinyaku, JP); (2R,5R)-N-(2-Methyl-3-oxothiomorpholin-5-ylcarbonyl)-L-histidyl-L-prolinamide tetrahydrate
Drug Type
Small molecular drug
Indication Pain [ICD9: 338, 356.0, 356.8,780; ICD10:G64, G90.0, R52, G89] Discontinued in Preregistration [544994]
Structure
Download
2D MOL

3D MOL
Formula
C20H26F3N5O7S
Canonical SMILES
CC1C(=O)NC(CS1)C(=O)NC(CC2=CN=CN2)CC(=O)N3CCCC3C(=O)O.C<br />(=O)(C(F)(F)F)O
InChI
1S/C18H25N5O5S.C2HF3O2/c1-10-16(25)22-13(8-29-10)17(26)21-11(5-12-7-19-9-20-12)6-15(24)23-4-2-3-14(23)18(27)28;3-2(4,5)1(6)7/h7,9-11,13-14H,2-6,8H2,1H3,(H,19,20)(H,21,26)(H,22,25)(H,27,28);(H,6,7)/t10-,11+,13+,14+;/m1./s1
InChIKey
YUARRBAFDZBNIK-JSQNCYBOSA-N
PubChem Compound ID
71311951
PubChem Substance ID
162248854
Target and Pathway
Target(s) Thyrotropin-releasing hormone receptor Target Info Modulator [531635], [534144]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
PANTHER Pathway Thyrotropin-releasing hormone receptor signaling pathway
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 544994Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001824)
Ref 531635Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1128-36.
Ref 534144Montirelin hydrate (NS-3), a TRH analog, improved the disturbance of consciousness caused by head concussion and pentobarbital in mice. Nihon Yakurigaku Zasshi. 1996 May;107(5):237-45.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.