| Collection |
D4 : TTD |
| Chemical Name |
BMS-245782 ( From PubChem : C H E M B L 1 8 9 5 4 8 ) |
| 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 |
| 615.723 g/mol |
3 |
12 |
4.12248 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 3 H 4 1 N 7 O 5 / c 1 - 2 2 - 2 8 ( 3 1 ( 4 1 ) 4 4 - 4 ) 3 0 ( 2 9 ( 2 3 ( 2 ) 3 7 - 2 2 ) 3 2 ( 4 2 ) 4 5 - 5 ) 2 4 - 9 - 6 - 1 0 - 2 5 ( 1 9 - 2 4 ) 3 8 - 3 3 ( 3 6 - 2 1 - 3 4 ) 3 5 - 1 3 - 8 - 1 4 - 3 9 - 1 5 - 1 7 - 4 0 ( 1 8 - 1 6 - 3 9 ) 2 6 - 1 1 - 7 - 1 2 - 2 7 ( 2 0 - 2 6 ) 4 3 - 3 / h 6 - 7 , 9 - 1 2 , 1 9 - 2 0 , 3 0 , 3 7 H , 8 , 1 3 - 1 8 H 2 , 1 - 5 H 3 , ( H 2 , 3 5 , 3 6 , 3 8 ) |
| InChIKey |
H D R Y B C L M R K G H S G - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | NPY1R | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
