Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08DND
|
|||
| Former ID |
DNC008092
|
|||
| Drug Name |
C[CO-(CH2)2-CO-Nle-D-Phe-Arg-Trp-Lys]-NH2
|
|||
| Synonyms |
CHEMBL411391; c[CO-(CH2)2-CO-Nle-D-Phe-Arg-Trp-Lys]-NH2
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C42H59N11O7
|
|||
| Canonical SMILES |
C1CCC(=O)CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C1)N)CC2=CC=CC=C2)CCCN=C(N)N)CC3=CNC4=CC=CC=C43)C(=O)N
|
|||
| InChI |
1S/C42H59N11O7/c43-30-15-6-4-13-28(54)19-20-36(55)47-21-9-8-17-32(37(44)56)50-41(60)35(24-27-25-49-31-16-7-5-14-29(27)31)53-39(58)33(18-10-22-48-42(45)46)51-40(59)34(52-38(30)57)23-26-11-2-1-3-12-26/h1-3,5,7,11-12,14,16,25,30,32-35,49H,4,6,8-10,13,15,17-24,43H2,(H2,44,56)(H,47,55)(H,50,60)(H,51,59)(H,52,57)(H,53,58)(H4,45,46,48)/t30-,32-,33-,34+,35-/m0/s1
|
|||
| InChIKey |
HWDXGLQUFJWIAC-DIWSUELLSA-N
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melanocortin receptor (MCR) | Target Info | Inhibitor | [1] |
| Melanocortin receptor 3 (MC3R) | Target Info | Inhibitor | [1] | |
| Melanocortin receptor 4 (MC4R) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Pathway Interaction Database | Syndecan-3-mediated signaling events | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (s) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-activity relationships of cyclic lactam analogues of alpha-melanocyte-stimulating hormone (alpha-MSH) targeting the human melanocortin-3 ... J Med Chem. 2008 Jan 24;51(2):187-95. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.