| Collection |
D4 : TTD |
| Chemical Name |
methotrexate gamma-L-phenylalaninehydroxamic acid ( From PubChem : C H E M B L 3 9 6 2 9 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 |
| 616.628 g/mol |
7 |
16 |
2.7518 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 9 H 3 2 N 1 0 O 6 / c 1 - 3 9 ( 1 5 - 1 8 - 1 4 - 3 2 - 2 5 - 2 3 ( 3 3 - 1 8 ) 2 4 ( 3 0 ) 3 6 - 2 9 ( 3 1 ) 3 7 - 2 5 ) 1 9 - 9 - 7 - 1 7 ( 8 - 1 0 - 1 9 ) 2 6 ( 4 1 ) 3 5 - 2 0 ( 2 8 ( 4 3 ) 4 4 ) 1 1 - 1 2 - 2 2 ( 4 0 ) 3 4 - 2 1 ( 2 7 ( 4 2 ) 3 8 - 4 5 ) 1 3 - 1 6 - 5 - 3 - 2 - 4 - 6 - 1 6 / h 2 - 1 0 , 1 4 , 2 0 - 2 1 , 4 5 H , 1 1 - 1 3 , 1 5 H 2 , 1 H 3 , ( H , 3 4 , 4 0 ) ( H , 3 5 , 4 1 ) ( H , 3 8 , 4 2 ) ( H , 4 3 , 4 4 ) ( H 4 , 3 0 , 3 1 , 3 2 , 3 6 , 3 7 ) / t 2 0 - , 2 1 - / m 0 / s 1 |
| InChIKey |
Q H Q O E Z X E Z M H M E R - S F T D A T J T S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | MMP9 | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
