Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05GYG
|
|||
| Former ID |
DIB019014
|
|||
| Drug Name |
BQ 3020
|
|||
| Synonyms |
BQ3020; BQ-3020
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C95H138N20O25S
|
|||
| Canonical SMILES |
CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CNC=N3)NC(=O)C(C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C
|
|||
| InChI |
1S/C95H138N20O25S/c1-15-52(10)79(94(138)114-78(51(8)9)93(137)112-73(95(139)140)41-58-45-98-62-26-20-19-25-61(58)62)115-91(135)72(44-76(122)123)110-87(131)67(38-49(4)5)107-89(133)70(42-59-46-97-47-99-59)106-80(124)53(11)101-85(129)68(39-56-23-17-16-18-24-56)108-88(132)69(40-57-28-30-60(117)31-29-57)111-92(136)77(50(6)7)113-81(125)54(12)100-82(126)64(32-33-74(118)119)104-83(127)63(27-21-22-35-96)103-90(134)71(43-75(120)121)109-84(128)65(34-36-141-14)105-86(130)66(37-48(2)3)102-55(13)116/h16-20,23-26,28-31,45-54,63-73,77-79,98,117H,15,21-22,27,32-44,96H2,1-14H3,(H,97,99)(H,100,126)(H,101,129)(H,102,116)(H,103,134)(H,104,127)(H,105,130)(H,106,124)(H,107,133)(H,108,132)(H,109,128)(H,110,131)(H,111,136)(H,112,137)(H,113,125)(H,114,138)(H,115,135)(H,118,119)(H,120,121)(H,122,123)(H,139,140)/t52-,53-,54-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,77-,78-,79-/m0/s1
|
|||
| InChIKey |
KBQLINQFUQUHIY-SGOWJZKMSA-N
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Endothelin B receptor (EDNRB) | Target Info | Agonist | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| cGMP-PKG signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Melanogenesis | ||||
| Pathways in cancer | ||||
| Panther Pathway | Endothelin signaling pathway | |||
| Pathway Interaction Database | Endothelins | |||
| Arf6 trafficking events | ||||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Prostaglandin Synthesis and Regulation | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Peptide GPCRs | ||||
| Endothelin Pathways | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 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: 3859). | |||
| REF 2 | Pharmacological differences between rat and human endothelin B receptors. Biochem Biophys Res Commun. 1995 Apr 17;209(2):506-12. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.