Drug General Information
Drug ID
D0S5ZJ
Former ID
DIB009757
Drug Name
SERGOLEXOLE MALEATE
Synonyms
LY-281067; Sergolexole maleate < Rec INNM; [trans-(8beta)]-1-Isopropyl-6-methylergoline-8-carboxylic acid 4-methoxycyclohexyl ester maleate; (9S)-4-Isopropyl-7-methyl-4,6,6abeta,7,8,9,10,10aalpha-octahydroindolo[3,4-fg]quinoline-9beta-carboxylic acid trans-4-methoxycyclohexyl ester maleate
Drug Type
Small molecular drug
Indication Migraine [ICD9: 346; ICD10:G43] Discontinued in Phase 2 [544716]
Structure
Download
2D MOL

3D MOL

Formula
C30H40N2O7
Canonical SMILES
COC1CCC(CC1)OC(=O)[C@@H]2C[C@H]3[C@@H](Cc4cn(C(C)C)c5cc<br />cc3c45)N(C)C2.OC(=O)\\C=C/C(=O)O
InChI
1S/C26H36N2O3.C4H4O4/c1-16(2)28-15-17-13-24-22(21-6-5-7-23(28)25(17)21)12-18(14-27(24)3)26(29)31-20-10-8-19(30-4)9-11-20;5-3(6)1-2-4(7)8/h5-7,15-16,18-20,22,24H,8-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t18-,19?,20?,22-,24-;/m1./s1
InChIKey
AWRYUNKJBYLYFR-VRUJKGOYSA-N
CAS Number
CAS 108674-87-9
PubChem Compound ID
Target and Pathway
Target(s) 5-hydroxytryptamine 2A receptor Target Info Antagonist [526792], [533252]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Serotonergic synapse
Inflammatory mediator regulation of TRP channels
PANTHER Pathway 5HT2 type receptor mediated signaling pathway
Reactome Serotonin receptors
G alpha (q) signalling events
WikiPathways Serotonin Receptor 2 and STAT3 Signaling
Serotonin Receptor 2 and ELK-SRF/GATA4 signaling
SIDS Susceptibility Pathways
Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
GPCRs, Other
References
Ref 544716Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000706)
Ref 526792Pharmacological profile of the new potent neuroleptic ocaperidone (R 79,598). J Pharmacol Exp Ther. 1992 Jan;260(1):146-59.
Ref 5332525-Hydroxytryptamine2 receptor antagonist activity of the acid metabolite (1-isopropyl dihydrolysergic acid) of the ergoline ester, sergolexole (LY281067). J Pharmacol Exp Ther. 1989 Dec;251(3):1006-11.

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