Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D02FXZ
|
||||
| Former ID |
DNC004464
|
||||
| Drug Name |
DesGly-NH2,d(CH2)5[D-Tyr2,Thr4,Orn8(5/6C-Flu)]VT
|
||||
| Indication | Discovery agent | Investigative | [526347] | ||
| Formula |
C64H75N9O18S2
|
||||
| Canonical SMILES |
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSC2(CCCCC2)CC(=O)NC(C<br />(=O)N1)C3=CC=C(C=C3)O)C(=O)N4CCCC4C(=O)NC(CCCNC(=O)C5=C<br />C6=C(C=C5)C(=O)OC67C8=C(C=C(C=C8)O)OC9=C7C=CC(=C9)O)C(=<br />O)O)CC(=O)N)C(C)O
|
||||
| InChI |
1S/C64H75N9O18S2/c1-4-32(2)51-57(83)72-52(33(3)74)58(84)68-44(29-49(65)78)55(81)69-45(31-92-93-63(22-6-5-7-23-63)30-50(79)70-53(59(85)71-51)34-12-15-36(75)16-13-34)60(86)73-25-9-11-46(73)56(82)67-43(61(87)88)10-8-24-66-54(80)35-14-19-39-42(26-35)64(91-62(39)89)40-20-17-37(76)27-47(40)90-48-28-38(77)18-21-41(48)64/h12-21,26-28,32-33,43-46,51-53,74-77H,4-11,22-25,29-31H2,1-3H3,(H2,65,78)(H,66,80)(H,67,82)(H,68,84)(H,69,81)(H,70,79)(H,71,85)(H,72,83)(H,87,88)/t32?,33?,43-,44+,45+,46+,51+,52+,53-/m0/s1
|
||||
| InChIKey |
YDQFMQKHNPCEQF-AMPJLWALSA-N
|
||||
| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Vasopressin V1a receptor | Target Info | Inhibitor | [526347] | |
| Oxytocin receptor | Target Info | Inhibitor | [526347] | ||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | ||||
| PANTHER Pathway | Oxytocin receptor mediated signaling pathway | ||||
| References | |||||