Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05UFG
|
|||
| Former ID |
DCL000498
|
|||
| Drug Name |
BIBW 2992
|
|||
| Synonyms |
Afatinib; Tomtovok; Tovok; BIBW-2992; Tovok (TN); Tovok, BIBW2992; (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide; EGFR inhibitor 2nd gens
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Non-small-cell lung cancer [ICD-11: 2C25.Y] | Approved | [1], [2] | |
| Company |
Boehringer Ingelheim
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C24H25ClFN5O3
|
|||
| Canonical SMILES |
CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4
|
|||
| InChI |
1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
|
|||
| InChIKey |
ULXXDDBFHOBEHA-CWDCEQMOSA-N
|
|||
| CAS Number |
CAS 850140-72-6
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
15180141, 22579524, 40274223, 57304398, 78996079, 99432363, 103768626, 104144352, 111978343, 118049494, 123051125, 124490464, 124756933, 124896577, 125163740, 125329929, 126578844, 126666994, 126726460, 131407778, 131465104, 134222879, 134339089, 135257273, 135267496, 135727456, 136368046, 136920296, 137039955, 137263401, 142681900, 143499145, 144072463, 144115710, 151990100, 152043638, 152234944, 152258159, 152344140, 160646996, 162011458, 162037384, 162202549, 163404060, 163406016, 164041641, 164825245, 164835145, 165245589, 170502166
|
|||
| ChEBI ID |
CHEBI:61390
|
|||
| ADReCS Drug ID | BADD_D00047 | |||
| SuperDrug ATC ID |
L01XE13
|
|||
| Drug Resistance Mutation (DRM) | Top | |||
|---|---|---|---|---|
| DRM | DRM Info | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5667). | |||
| REF 2 | BIBW-2992, a dual receptor tyrosine kinase inhibitor for the treatment of solid tumors. Curr Opin Investig Drugs. 2008 Dec;9(12):1336-46. | |||
| REF 3 | Boehringer Ingelheim. Product Development Pipeline. June 2 2009. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.