| Collection |
D4 : TTD |
| Chemical Name |
PD136450 ( From PubChem : C A M 1 1 8 9 ) |
| 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 |
| 612.715 g/mol |
5 |
9 |
5.8072 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 5 H 4 0 N 4 O 6 / c 1 - 3 5 ( 1 8 - 2 6 - 1 9 - 3 6 - 2 8 - 1 0 - 6 - 5 - 9 - 2 7 ( 2 6 ) 2 8 , 3 9 - 3 4 ( 4 4 ) 4 5 - 3 2 - 2 4 - 1 4 - 2 1 - 1 3 - 2 2 ( 1 6 - 2 4 ) 1 7 - 2 5 ( 3 2 ) 1 5 - 2 1 ) 3 3 ( 4 3 ) 3 7 - 2 0 - 2 9 ( 2 3 - 7 - 3 - 2 - 4 - 8 - 2 3 ) 3 8 - 3 0 ( 4 0 ) 1 1 - 1 2 - 3 1 ( 4 1 ) 4 2 / h 2 - 1 2 , 1 9 , 2 1 - 2 2 , 2 4 - 2 5 , 2 9 , 3 2 , 3 6 H , 1 3 - 1 8 , 2 0 H 2 , 1 H 3 , ( H , 3 7 , 4 3 ) ( H , 3 8 , 4 0 ) ( H , 3 9 , 4 4 ) ( H , 4 1 , 4 2 ) / b 1 2 - 1 1 + / t 2 1 - , 2 2 + , 2 4 - , 2 5 + , 2 9 - , 3 2 - , 3 5 + / m 0 / s 1 |
| InChIKey |
R E M A M J Q T I P B F T H - D L J N T U G S S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | CCKBR | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
