| Collection |
D4 : TTD |
| Chemical Name |
Ro-4396686 ( From PubChem : R O - 4 3 9 6 6 8 6 ) |
| 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 |
| 449.477 g/mol |
2 |
7 |
4.4309 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 4 H 2 4 F N 5 O 3 / c 1 - 3 3 - 2 1 - 1 0 - 7 - 1 8 ( 8 - 1 1 - 2 1 ) 2 9 - 1 4 - 1 5 - 1 3 - 2 6 - 2 3 ( 2 7 - 1 7 - 4 - 2 - 1 6 ( 2 5 ) 3 - 5 - 1 7 ) 2 8 - 2 2 ( 1 5 ) 3 0 ( 2 4 ( 2 9 ) 3 2 ) 1 9 - 6 - 9 - 2 0 ( 3 1 ) 1 2 - 1 9 / h 2 - 5 , 7 - 8 , 1 0 - 1 1 , 1 3 , 1 9 - 2 0 , 3 1 H , 6 , 9 , 1 2 , 1 4 H 2 , 1 H 3 , ( H , 2 6 , 2 7 , 2 8 ) / t 1 9 - , 2 0 - / m 1 / s 1 |
| InChIKey |
K X E M I N R A N V T I C S - W O J B J X K F S A - N
|
| Links |
|
Gene
(12 /
12)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | EGFR | | | Successful target | | TTD | Inhibitor | FGFR1 | | | Clinical trial target | | TTD | Inhibitor | FGFR2 | | | Successful target | | TTD | Inhibitor | FGFR3 | | | Clinical trial target | | TTD | Inhibitor | FGFR4 | | | Research target | | TTD | Inhibitor | FYN | | | Successful target | | TTD | Inhibitor | KDR | | | Successful target | | TTD | Inhibitor | MAPK1 | | | Research target | | TTD | Inhibitor | PDGFRA | | | Discontinued target | | TTD | Inhibitor | PDGFRB | | | Research target | | TTD | Inhibitor | PRKACA | | | Research target | | TTD | Inhibitor | PRKAR2B | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
