Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0S9JH
|
||||
| Former ID |
DNC001098
|
||||
| Drug Name |
PD142893
|
||||
| Drug Type |
Small molecular drug
|
||||
| Indication | Discovery agent | Terminated | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C50H65N7O10
|
||||
| Canonical SMILES |
CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)<br />O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=C(C=C3)<br />C4=CC=CC=C4)NC(=O)C
|
||||
| InChI |
1S/C50H65N7O10/c1-8-29(5)43(48(64)55-41(50(66)67)25-35-27-51-37-18-14-13-17-36(35)37)57-49(65)44(30(6)9-2)56-47(63)40(26-42(59)60)54-45(61)38(23-28(3)4)53-46(62)39(52-31(7)58)24-32-19-21-34(22-20-32)33-15-11-10-12-16-33/h10-22,27-30,38-41,43-44,51H,8-9,23-26H2,1-7H3,(H,52,58)(H,53,62)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H,59,60)(H,66,67)/t29-,30-,38-,39+,40-,41-,43-,44-/m0/s1
|
||||
| InChIKey |
IFDNLSRYZKUGIR-KXXXQFFTSA-N
|
||||
| CAS Number |
CAS 152811-62-6
|
||||
| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Endothelin B receptor | Target Info | Antagonist | [2] | |
| Endothelin-1 receptor | Target Info | Antagonist | [2] | ||
| KEGG Pathway | Calcium signaling pathway | ||||
| cGMP-PKG signaling pathway | |||||
| Neuroactive ligand-receptor interaction | |||||
| Melanogenesis | |||||
| Pathways in cancerhsa04020:Calcium signaling pathway | |||||
| cAMP signaling pathway | |||||
| Vascular smooth muscle contraction | |||||
| Renin secretion | |||||
| Pathways in cancer | |||||
| NetPath Pathway | IL4 Signaling Pathway | ||||
| PANTHER Pathway | Endothelin signaling pathwayP00019:Endothelin signaling pathway | ||||
| Pathway Interaction Database | Endothelins | ||||
| Arf6 trafficking eventsendothelinpathway:Endothelins | |||||
| EGFR-dependent Endothelin signaling events | |||||
| Reactome | Peptide ligand-binding receptors | ||||
| G alpha (q) signalling eventsR-HSA-375276: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 signalingWP98:Prostaglandin Synthesis and Regulation | |||||
| GPCR downstream signaling | |||||
| GPCRs, Other | |||||
| References | |||||
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002573) | ||||
| REF 2 | Human optic nerve head astrocytes as a target for endothelin-1. Invest Ophthalmol Vis Sci. 2002 Aug;43(8):2704-13. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.