Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0X3RW
|
||||
| Former ID |
DNC006699
|
||||
| Drug Name |
Demotensin 4
|
||||
| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C48H87N17O9
|
||||
| Canonical SMILES |
CC(C)CC(C(=O)O)NC(=O)C(C(C)(C)C)NC(=O)C(CC1=CC=C(C=C1)O<br />)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NCC(CCCN=C(N)N)NC(=O)CN<br />C(=O)C(CNCCN)CNCCN
|
||||
| InChI |
1S/C48H87N17O9/c1-29(2)23-36(45(73)74)63-43(71)39(48(3,4)5)64-41(69)35(24-30-12-14-33(66)15-13-30)62-42(70)37-11-8-22-65(37)44(72)34(10-7-19-58-47(53)54)59-27-32(9-6-18-57-46(51)52)61-38(67)28-60-40(68)31(25-55-20-16-49)26-56-21-17-50/h12-15,29,31-32,34-37,39,55-56,59,66H,6-11,16-28,49-50H2,1-5H3,(H,60,68)(H,61,67)(H,62,70)(H,63,71)(H,64,69)(H,73,74)(H4,51,52,57)(H4,53,54,58)/t32?,34-,35-,36-,37-,39+/m0/s1
|
||||
| InChIKey |
GDXILVHURHRHQL-DTKPYEPFSA-N
|
||||
| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Neurotensin receptor type 1 | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | |||||
| Reactome | Peptide ligand-binding receptors | ||||
| G alpha (q) signalling events | |||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | |||||
| Peptide GPCRs | |||||
| GPCR ligand binding | |||||
| GPCR downstream signaling | |||||
| GPCRs, Other | |||||
| References | |||||
| REF 1 | J Med Chem. 2006 Jul 27;49(15):4767-76.Toward stable N4-modified neurotensins for NTS1-receptor-targeted tumor imaging with 99mTc. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.