Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K0JJ
|
|||
| Former ID |
DNC004470
|
|||
| Drug Name |
[HO1][Lys8(5/6C-Flu)]VT
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C62H74N12O18S2
|
|||
| Canonical SMILES |
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)C2=CC=C(C=C2)O)O)C(=O)N3CCCC3C(=O)NC(CCCCNC(=O)C4=CC5=C(C=C4)C(=O)OC56C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)C(=O)NCN)CC(=O)N)CCC(=O)N
|
|||
| InChI |
1S/C62H74N12O18S2/c1-3-30(2)50-58(87)69-41(19-20-48(64)79)54(83)70-42(26-49(65)80)55(84)71-43(27-93-94-28-45(78)57(86)73-51(59(88)72-50)31-9-12-33(75)13-10-31)60(89)74-22-6-8-44(74)56(85)68-40(53(82)67-29-63)7-4-5-21-66-52(81)32-11-16-36-39(23-32)62(92-61(36)90)37-17-14-34(76)24-46(37)91-47-25-35(77)15-18-38(47)62/h9-18,23-25,30,40-45,50-51,75-78H,3-8,19-22,26-29,63H2,1-2H3,(H2,64,79)(H2,65,80)(H,66,81)(H,67,82)(H,68,85)(H,69,87)(H,70,83)(H,71,84)(H,72,88)(H,73,86)/t30?,40-,41+,42+,43+,44+,45?,50+,51-/m0/s1
|
|||
| InChIKey |
UHOYWVNHWOKOQC-USAPJFQBSA-N
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Oxytocin receptor (OTR) | Target Info | Inhibitor | [1] |
| Vasopressin V1a receptor (V1AR) | Target Info | Inhibitor | [1] | |
| Vasopressin V1b receptor (V1BR) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Vascular smooth muscle contraction | ||||
| cAMP signaling pathway | ||||
| Oxytocin signaling pathway | ||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | |||
| Panther Pathway | Oxytocin receptor mediated signaling pathway | |||
| Reactome | Vasopressin-like 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 | ||||
| Myometrial Relaxation and Contraction Pathways | ||||
| Oxytocin signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and characterization of fluorescent antagonists and agonists for human oxytocin and vasopressin V(1)(a) receptors. J Med Chem. 2002 Jun 6;45(12):2579-88. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.