Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02FNU
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| Former ID |
DNC000807
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| Drug Name |
Ipsapirone
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| Synonyms |
IPSAPIRONE; 95847-70-4; Ipsapironum [Latin]; Ipsapirona [Spanish]; Ipsapirone [INN:BAN]; UNII-6J9B11MN0K; C19H23N5O3S; 2-[4-[4-(2-PYRIMIDINYL)-1-PIPERAZINYL]BUTYL]-1,2-BENZISOTHIAZOL-3(2H)-ONE-1,1-DIOXIDE; BRN 5486134; CHEMBL8412; 6J9B11MN0K; NCGC00025315-01; DSSTox_CID_25688; 2-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)butyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide; DSSTox_RID_81060; DSSTox_GSID_45688; Ipsapironum; Ipsapirona; 1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one
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| Drug Type |
Small molecular drug
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| Indication | Anxiety disorder [ICD-11: 6B00-6B0Z; ICD-10: R45.0] | Terminated | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C19H23N5O3S
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| Canonical SMILES |
C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4
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| InChI |
1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
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| InChIKey |
TZJUVVIWVWFLCD-UHFFFAOYSA-N
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| CAS Number |
CAS 95847-70-4
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| PubChem Compound ID | ||||
| PubChem Substance ID |
7603533, 8184984, 11114236, 12013978, 14903693, 43114717, 47285840, 47731233, 49883567, 50326777, 57313863, 85209405, 85788167, 91746214, 103166960, 103918673, 104311449, 104827256, 117598635, 119525529, 129335952, 134338757, 134340130, 135015567, 135650411, 135698194, 137231966, 142141651, 144204513, 162023316, 162222165, 163135249, 170466380, 175611931, 179151468, 184536638, 198972236, 202544113, 224910665, 226458694, 252156151, 252330661, 252450956, 252562161
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| ChEBI ID |
CHEBI:93578
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | 5-HT 1A receptor (HTR1A) | Target Info | Agonist | [3] |
| KEGG Pathway | cAMP signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Serotonergic synapse | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||
| 5HT1 type receptor mediated signaling pathway | ||||
| Reactome | Serotonin receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | Serotonin HTR1 Group and FOS Pathway | |||
| SIDS Susceptibility Pathways | ||||
| Monoamine GPCRs | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 42). | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000695) | |||
| REF 3 | Chronic voluntary ethanol intake hypersensitizes 5-HT(1A) autoreceptors in C57BL/6J mice. J Neurochem. 2008 Dec;107(6):1660-70. | |||
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