| Collection |
D4 : TTD |
| Chemical Name |
Phosphoaminophosphonic Acid-Adenylate Ester ( From PubChem : G A M M A - I M I N O - A T P ) |
| 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 |
| 506.196 g/mol |
8 |
18 |
-1.0839 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 0 H 1 7 N 6 O 1 2 P 3 / c 1 1 - 8 - 5 - 9 ( 1 3 - 2 - 1 2 - 8 ) 1 6 ( 3 - 1 4 - 5 ) 1 0 - 7 ( 1 8 ) 6 ( 1 7 ) 4 ( 2 7 - 1 0 ) 1 - 2 6 - 3 1 ( 2 4 , 2 5 ) 2 8 - 3 0 ( 2 2 , 2 3 ) 1 5 - 2 9 ( 1 9 , 2 0 ) 2 1 / h 2 - 4 , 6 - 7 , 1 0 , 1 7 - 1 8 H , 1 H 2 , ( H , 2 4 , 2 5 ) ( H 2 , 1 1 , 1 2 , 1 3 ) ( H 4 , 1 5 , 1 9 , 2 0 , 2 1 , 2 2 , 2 3 ) / t 4 - , 6 - , 7 - , 1 0 - / m 1 / s 1 |
| InChIKey |
P V K S N H V P L W Y Q G J - K Q Y N X X C U S A - N
|
| Links |
|
Gene
(10 /
11)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | EPHA2 | | | Research target | | TTD | Inhibitor | EPHB2 | | | Research target | | TTD | Inhibitor | GSK3B | | | Clinical trial target | | TTD | Inhibitor | IGF1R | | | Successful target | | TTD | Inhibitor | LCK | | | Successful target | | TTD | Inhibitor | MAPK10 | | | Research target | | TTD | Inhibitor | MAPK12 | | | Clinical trial target | | TTD | Inhibitor | RAD51 | | | Research target | | TTD | Inhibitor | TOP2A | | | Successful target | | TTD | Inhibitor | TOP2B | | | Research target | | TTD | Inhibitor | TOP2B | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
