| Collection |
D4 : TTD |
| Chemical Name |
Neratinib ( From PubChem : N E R A T I N I B ) |
| 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 |
| 557.043 g/mol |
2 |
8 |
6.07848 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 2 9 C l N 6 O 3 / c 1 - 4 - 3 9 - 2 8 - 1 6 - 2 5 - 2 3 ( 1 5 - 2 6 ( 2 8 ) 3 6 - 2 9 ( 3 8 ) 9 - 7 - 1 3 - 3 7 ( 2 ) 3 ) 3 0 ( 2 0 ( 1 7 - 3 2 ) 1 8 - 3 4 - 2 5 ) 3 5 - 2 1 - 1 0 - 1 1 - 2 7 ( 2 4 ( 3 1 ) 1 4 - 2 1 ) 4 0 - 1 9 - 2 2 - 8 - 5 - 6 - 1 2 - 3 3 - 2 2 / h 5 - 1 2 , 1 4 - 1 6 , 1 8 H , 4 , 1 3 , 1 9 H 2 , 1 - 3 H 3 , ( H , 3 4 , 3 5 ) ( H , 3 6 , 3 8 ) / b 9 - 7 + |
| InChIKey |
J W N P D Z N E K V C W M Y - V Q H V L O K H S A - N
|
| Links |
|
Gene
(4 /
10)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Multitarget | EGFR | | | Successful target | | TTD | Inhibitor | EGFR | | | Successful target | | TTD | Inhibitor | EGFR | | | Successful target | | TTD | Drug(s) | EGFR | | | Successful target | | TTD | Inhibitor | ERBB2 | | | Research target | | TTD | Multitarget | ERBB2 | | | Successful target | | TTD | Inhibitor | ERBB2 | | | Successful target | | TTD | Drug(s) | ERBB2 | | | Successful target | | TTD | Inhibitor | KDR | | | Successful target | | PubChem | Potency | uM | 0.014 | YES1 |  | | GI(Protien) : |
|
| Download gene sets |
gmt, text, Detailed text
|
