| Collection |
D4 : TTD |
| Chemical Name |
Heme ( From PubChem : M E S O H E M E ) |
| 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 |
| 616.487 g/mol |
2 |
6 |
3.2963 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 4 H 3 4 N 4 O 4 . F e / c 1 - 7 - 2 1 - 1 7 ( 3 ) 2 5 - 1 3 - 2 6 - 1 9 ( 5 ) 2 3 ( 9 - 1 1 - 3 3 ( 3 9 ) 4 0 ) 3 1 ( 3 7 - 2 6 ) 1 6 - 3 2 - 2 4 ( 1 0 - 1 2 - 3 4 ( 4 1 ) 4 2 ) 2 0 ( 6 ) 2 8 ( 3 8 - 3 2 ) 1 5 - 3 0 - 2 2 ( 8 - 2 ) 1 8 ( 4 ) 2 7 ( 3 6 - 3 0 ) 1 4 - 2 9 ( 2 1 ) 3 5 - 2 5 ; / h 7 - 8 , 1 3 - 1 6 H , 1 - 2 , 9 - 1 2 H 2 , 3 - 6 H 3 , ( H 4 , 3 5 , 3 6 , 3 7 , 3 8 , 3 9 , 4 0 , 4 1 , 4 2 ) ; / q ; + 2 / p - 2 / b 2 5 - 1 3 - , 2 6 - 1 3 - , 2 7 - 1 4 - , 2 8 - 1 5 - , 2 9 - 1 4 - , 3 0 - 1 5 - , 3 1 - 1 6 - , 3 2 - 1 6 - ; |
| InChIKey |
K A B F M I B P W C X C R K - R G G A H W M A S A - L
|
| Links |
|
Gene
(12 /
13)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ALOX5 | | | Successful target | | TTD | Inhibitor | CBS | | | Research target | | TTD | Inhibitor | CBS | | | Research target | | TTD | Inhibitor | CYP3A4 | | | Successful target | | TTD | Inhibitor | HBA1 | | | Successful target | | TTD | Inhibitor | HBA2 | | | Successful target | | TTD | Inhibitor | HBB | | | Successful target | | TTD | Inhibitor | HMOX1 | | | Clinical trial target | | TTD | Inhibitor | NOS1 | | | Clinical trial target | | TTD | Inhibitor | NOS2 | | | Successful target | | TTD | Inhibitor | NOS3 | | | Clinical trial target | | TTD | Inhibitor | PTGS1 | | | Successful target | | TTD | Inhibitor | PTGS2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
