Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04EWA
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| Former ID |
DNC004730
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| Drug Name |
Des-AA1,2,5-[(NalphaMe)Lys4,D-Nal8,IAmp9]SRIF
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| Synonyms |
CHEMBL406559; Des-AA1,2,5-[(NalphaMe)Lys4,D-Nal8,IAmp9]SRIF
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C77H99N13O15S2
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| Canonical SMILES |
CC(C)NCC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5)CC6=CC=CC=C6)CCCCN)C)N)C(=O)O)CO)C(C)O)CC7=CC=CC=C7)C(C)O
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| InChI |
1S/C77H99N13O15S2/c1-45(2)80-41-52-30-28-51(29-31-52)39-59-70(97)88-65(46(3)92)74(101)85-60(38-50-23-13-8-14-24-50)71(98)89-66(47(4)93)75(102)86-62(42-91)72(99)87-63(77(104)105)44-107-106-43-56(79)76(103)90(5)64(27-17-18-34-78)73(100)84-58(37-49-21-11-7-12-22-49)68(95)81-57(36-48-19-9-6-10-20-48)67(94)83-61(69(96)82-59)40-53-32-33-54-25-15-16-26-55(54)35-53/h6-16,19-26,28-33,35,45-47,56-66,80,91-93H,17-18,27,34,36-44,78-79H2,1-5H3,(H,81,95)(H,82,96)(H,83,94)(H,84,100)(H,85,101)(H,86,102)(H,87,99)(H,88,97)(H,89,98)(H,104,105)/t46-,47-,56-,57+,58-,59+,60+,61+,62+,63+,64-,65-,66-/m1/s1
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| InChIKey |
MQVPKOMHWCOKLK-DXVDGIIASA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Somatostatin receptor type 1 (SSTR1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | cAMP signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||
| Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | ||||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | SIDS Susceptibility Pathways | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Somatostatin receptor 1 selective analogues: 2. N(alpha)-Methylated scan. J Med Chem. 2005 Jan 27;48(2):507-14. | |||
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