Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0HA5S
|
||||
| Former ID |
DNC012446
|
||||
| Drug Name |
Compound SRTX6b
|
||||
| Indication | Discovery agent | Investigative | [551320] | ||
| Formula |
C64H86N14O15S
|
||||
| Canonical SMILES |
CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(C(C)C<br />)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC3=CN=CN3)NC<br />(=O)C(CS)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=C(C=C5)O)N<br />C(=O)C(CC(C)C)N
|
||||
| InChI |
1S/C64H86N14O15S/c1-7-35(6)54(63(91)75-49(64(92)93)26-38-29-68-43-16-12-11-15-41(38)43)78-62(90)53(34(4)5)77-60(88)48(28-52(81)82)74-56(84)44(21-22-51(66)80)70-59(87)47(27-39-30-67-32-69-39)73-61(89)50(31-94)76-58(86)46(24-36-13-9-8-10-14-36)72-57(85)45(25-37-17-19-40(79)20-18-37)71-55(83)42(65)23-33(2)3/h8-20,29-30,32-35,42,44-50,53-54,68,79,94H,7,21-28,31,65H2,1-6H3,(H2,66,80)(H,67,69)(H,70,87)(H,71,83)(H,72,85)(H,73,89)(H,74,84)(H,75,91)(H,76,86)(H,77,88)(H,78,90)(H,81,82)(H,92,93)/t35-,42-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1
|
||||
| InChIKey |
SFSIFZZQDRPMDO-CSJJGNFLSA-N
|
||||
| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Endothelin B receptor | Target Info | Inhibitor | [551320] | |
| PANTHER Pathway | Endothelin signaling pathway | ||||
| Pathway Interaction Database | Endothelins | ||||
| Arf6 trafficking events | |||||
| References | |||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.