Drug Information
Drug General Information | Top | |||
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Drug ID |
D0NC8V
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Former ID |
DIB019463
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Drug Name |
PMID16250654C37
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Synonyms |
AC1OCFYZ; GTPL2239; BDBM50372611
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
Structure |
Download2D MOL
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Formula |
C28H33F2N3O3
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Canonical SMILES |
CC(C)CC1C(=O)NC(C(=O)N1C(C2=C(C=C(C=C2)F)F)C(=O)NC(C)C)C3CC4=CC=CC=C4C3
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InChI |
1S/C28H33F2N3O3/c1-15(2)11-23-26(34)32-24(19-12-17-7-5-6-8-18(17)13-19)28(36)33(23)25(27(35)31-16(3)4)21-10-9-20(29)14-22(21)30/h5-10,14-16,19,23-25H,11-13H2,1-4H3,(H,31,35)(H,32,34)/t23-,24-,25-/m1/s1
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InChIKey |
QGSYCKKZFPLTMQ-UBFVSLLYSA-N
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PubChem Compound ID | ||||
PubChem Substance ID |
Target and Pathway | Top | |||
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Target(s) | Oxytocin receptor (OTR) | Target Info | Antagonist | [1] |
KEGG Pathway | Calcium signaling pathway | |||
cAMP signaling pathway | ||||
Neuroactive ligand-receptor interaction | ||||
Oxytocin signaling pathway | ||||
NetPath Pathway | TGF_beta_Receptor Signaling Pathway | |||
Panther Pathway | Oxytocin receptor mediated signaling pathway | |||
Reactome | Vasopressin-like receptors | |||
G alpha (q) signalling events | ||||
WikiPathways | GPCRs, Class A Rhodopsin-like | |||
Myometrial Relaxation and Contraction Pathways | ||||
Oxytocin signaling | ||||
Gastrin-CREB signalling pathway via PKC and MAPK | ||||
Peptide GPCRs | ||||
GPCR ligand binding | ||||
GPCR downstream signaling |
References | Top | |||
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REF 1 | 2,5-diketopiperazines as potent, selective, and orally bioavailable oxytocin antagonists. 2. Synthesis, chirality, and pharmacokinetics. J Med Chem. 2005 Nov 3;48(22):6956-69. | |||
REF 2 | 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: 2239). |
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