| Collection |
D4 : TTD |
| Chemical Name |
FR236913 ( From PubChem : A C 1 N R B 4 5 ) |
| 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 |
| 448.518 g/mol |
4 |
7 |
1.2476 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 4 H 2 6 N 6 O 3 / c 2 5 - 2 3 ( 3 2 ) 2 1 - 1 4 - 3 0 ( 1 6 - 2 7 - 2 1 ) 2 0 ( 1 5 - 3 1 ) 9 - 1 1 - 2 9 - 1 0 - 8 - 1 8 - 6 - 7 - 1 9 ( 1 2 - 2 2 ( 1 8 ) 2 9 ) 2 8 - 2 4 ( 3 3 ) 2 6 - 1 3 - 1 7 - 4 - 2 - 1 - 3 - 5 - 1 7 / h 1 - 6 , 8 , 1 0 , 1 2 , 1 4 , 2 0 , 3 1 H , 7 , 9 , 1 1 , 1 3 , 1 5 - 1 6 H 2 , ( H 2 - , 2 5 , 2 6 , 3 2 , 3 3 ) / p + 2 / t 2 0 - / m 1 / s 1 |
| InChIKey |
C M J O E U L T U G A F O R - H X U W F J F H S A - P
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ADA | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
