Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0C0HP
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| Former ID |
DIB020049
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| Drug Name |
IN-3
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| Synonyms |
IN 3; analogue 24 [PMID: 11551758]
Click to Show/Hide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C37H46N4O
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| Canonical SMILES |
CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)N4CC5CCC4CC5)C(C)CNCCC6=CC=NC=C6)C
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| InChI |
1S/C37H46N4O/c1-24-18-25(2)20-29(19-24)35-34(26(3)22-39-17-14-27-12-15-38-16-13-27)32-21-30(8-11-33(32)40-35)37(4,5)36(42)41-23-28-6-9-31(41)10-7-28/h8,11-13,15-16,18-21,26,28,31,39-40H,6-7,9-10,14,17,22-23H2,1-5H3/t26-,28?,31?/m1/s1
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| InChIKey |
GGVFLXSCFPVLMS-WPCLDFDBSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Gonadotropin-releasing hormone receptor (GNRHR) | Target Info | Antagonist | [2] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| GnRH signaling pathway | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| IL2 Signaling Pathway | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | |||
| Reactome | Hormone ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Gastrin-CREB signalling pathway via PKC and MAPK | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Orally bioavailable, indole-based nonpeptide GnRH receptor antagonists with high potency and functional activity. Bioorg Med Chem Lett. 2001 Oct 8;11(19):2597-602. | |||
| REF 2 | Rescue of hypogonadotropic hypogonadism-causing and manufactured GnRH receptor mutants by a specific protein-folding template: misrouted proteins as a novel disease etiology and therapeutic target. JClin Endocrinol Metab. 2002 Jul;87(7):3255-62. | |||
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