| Collection |
D4 : TTD |
| Chemical Name |
SCH79687 ( From PubChem : C H E M B L 3 6 6 9 7 7 ) |
| 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 |
| 375.252 g/mol |
3 |
4 |
5.0929 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 8 H 1 6 C l 2 N 4 O / c 1 9 - 1 4 - 6 - 1 5 ( 2 0 ) 8 - 1 6 ( 7 - 1 4 ) 2 4 - 1 8 ( 2 5 ) 2 2 - 9 - 1 3 - 3 - 1 - 1 2 ( 2 - 4 - 1 3 ) 5 - 1 7 - 1 0 - 2 1 - 1 1 - 2 3 - 1 7 / h 1 - 4 , 6 - 8 , 1 0 - 1 1 H , 5 , 9 H 2 , ( H , 2 1 , 2 3 ) ( H 2 , 2 2 , 2 4 , 2 5 ) |
| InChIKey |
C X N C Q F J N X Q A F N D - 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 | Antagonist | HRH3 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
