| Collection |
D4 : TTD |
| Chemical Name |
CP-609,754 ( From PubChem : L N K 7 5 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 |
| 630.044 g/mol |
5 |
11 |
2.7353 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 9 H 2 2 C l N 3 O 2 . C 4 H 6 O 6 / c 1 - 4 - 1 9 - 6 - 5 - 7 - 2 0 ( 1 4 - 1 9 ) 2 4 - 1 6 - 2 8 ( 3 4 ) 3 3 ( 3 ) 2 6 - 1 3 - 1 0 - 2 2 ( 1 5 - 2 5 ( 2 4 ) 2 6 ) 2 9 ( 3 5 , 2 7 - 1 7 - 3 1 - 1 8 - 3 2 ( 2 7 ) 2 ) 2 1 - 8 - 1 1 - 2 3 ( 3 0 ) 1 2 - 9 - 2 1 ; 5 - 1 ( 3 ( 7 ) 8 ) 2 ( 6 ) 4 ( 9 ) 1 0 / h 1 , 5 - 1 8 , 3 5 H , 2 - 3 H 3 ; 1 - 2 , 5 - 6 H , ( H , 7 , 8 ) ( H , 9 , 1 0 ) / t ; 1 - , 2 - / m . 1 / s 1 |
| InChIKey |
W I H R G T V F M A F K L Z - L R E B C S M R S A - N
|
| Links |
|
Gene
(2 /
4)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CH17-360D5.1 | | | Discontinued target | | TTD | Drug(s) | CH17-360D5.1 | | | Discontinued target | | TTD | Inhibitor | FNTA | | | Discontinued target | | TTD | Drug(s) | FNTA | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
