| Collection |
D4 : TTD |
| Chemical Name |
NEUROKININ B ( From PubChem : B E T A - N E U R O K I N I N ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 1210.42 g/mol |
14 |
28 |
3.3212 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 5 H 7 9 N 1 3 O 1 4 S 2 / c 1 - 3 0 ( 2 ) 2 1 - 3 8 ( 5 0 ( 7 7 ) 6 2 - 3 6 ( 4 7 ( 5 7 ) 7 4 ) 1 7 - 1 9 - 8 3 - 5 ) 6 1 - 4 3 ( 6 9 ) 2 8 - 5 9 - 5 5 ( 8 2 ) 4 6 ( 3 1 ( 3 ) 4 ) 6 8 - 5 4 ( 8 1 ) 4 0 ( 2 3 - 3 3 - 1 5 - 1 1 - 8 - 1 2 - 1 6 - 3 3 ) 6 5 - 5 1 ( 7 8 ) 3 9 ( 2 2 - 3 2 - 1 3 - 9 - 7 - 1 0 - 1 4 - 3 2 ) 6 4 - 5 3 ( 8 0 ) 4 2 ( 2 6 - 4 5 ( 7 2 ) 7 3 ) 6 7 - 5 2 ( 7 9 ) 4 1 ( 2 4 - 3 4 - 2 7 - 5 8 - 2 9 - 6 0 - 3 4 ) 6 6 - 4 9 ( 7 6 ) 3 7 ( 1 8 - 2 0 - 8 4 - 6 ) 6 3 - 4 8 ( 7 5 ) 3 5 ( 5 6 ) 2 5 - 4 4 ( 7 0 ) 7 1 / h 7 - 1 6 , 2 7 , 2 9 - 3 1 , 3 5 - 4 2 , 4 6 H , 1 7 - 2 6 , 2 8 , 5 6 H 2 , 1 - 6 H 3 , ( H 2 , 5 7 , 7 4 ) ( H , 5 8 , 6 0 ) ( H , 5 9 , 8 2 ) ( H , 6 1 , 6 9 ) ( H , 6 2 , 7 7 ) ( H , 6 3 , 7 5 ) ( H , 6 4 , 8 0 ) ( H , 6 5 , 7 8 ) ( H , 6 6 , 7 6 ) ( H , 6 7 , 7 9 ) ( H , 6 8 , 8 1 ) ( H , 7 0 , 7 1 ) ( H , 7 2 , 7 3 ) |
| InChIKey |
N H X Y S A F T N P A N F K - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | TACR3 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
