| Collection |
D4 : TTD |
| Chemical Name |
2-Phenylheme ( From PubChem : C I D 5 2 8 7 4 7 4 ) |
| 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 |
| 606.494 g/mol |
1 |
4 |
4.0897 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 6 H 3 1 N 4 O 2 . F e / c 1 - 6 - 2 5 - 2 0 ( 3 ) 2 9 - 1 7 - 2 4 - 1 3 - 1 5 - 2 8 ( 3 7 - 2 4 ) 3 5 ( 2 3 - 1 1 - 9 - 8 - 1 0 - 1 2 - 2 3 ) 3 6 - 2 7 ( 1 4 - 1 6 - 3 4 ( 4 1 ) 4 2 ) 2 2 ( 5 ) 3 1 ( 4 0 - 3 6 ) 1 9 - 3 3 - 2 6 ( 7 - 2 ) 2 1 ( 4 ) 3 0 ( 3 9 - 3 3 ) 1 8 - 3 2 ( 2 5 ) 3 8 - 2 9 ; / h 6 - 1 3 , 1 5 , 1 7 - 1 9 H , 1 - 2 , 1 4 , 1 6 H 2 , 3 - 5 H 3 , ( H 2 - , 3 7 , 3 8 , 3 9 , 4 0 , 4 1 , 4 2 ) ; / q - 1 ; + 2 / p - 1 / b 2 4 - 1 7 - , 2 9 - 1 7 - , 3 0 - 1 8 - , 3 1 - 1 9 - , 3 2 - 1 8 - , 3 3 - 1 9 - , 3 5 - 2 8 - , 3 6 - 3 5 - ; |
| InChIKey |
O K X X L W P L H D C B I L - Q T Y R W T B Z S A - M
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | HMOX1 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
