Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00354
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| Drug Name |
Afatinib
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| Synonyms |
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide; BIBW 2992; BIBW-2992; EGFR inhibitor 2nd gens; Tomtovok; Tovok; Tovok (TN); Tovok, BIBW2992
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| Drug Type |
Small molecular drug
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| Indication | Non-small cell lung cancer [ICD11:2C25] | Approved | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C24H25ClFN5O3
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| Canonical SMILES |
CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4
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| InChI |
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
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| InChIKey |
ULXXDDBFHOBEHA-CWDCEQMOSA-N
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| CAS Number |
CAS 850140-72-6
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| Pharmaceutical Properties | Molecular Weight | 485.9 | Topological Polar Surface Area | 88.6 | ||
| Heavy Atom Count | 34 | Rotatable Bond Count | 8 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 8 | |||
| XLogP |
3.6
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| PubChem CID | ||||||
| PubChem SID |
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
,15180141
,151990100
,152043638
,152234944
,152258159
,152344140
,160646996
,162011458
,162037384
,162202549
,163404060
,163406016
,164041641
,164825245
,164835145
,165245589
,170502166
,22579524
,40274223
,57304398
,78996079
,99432363
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| ChEBI ID |
CHEBI:61390
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | ||
| References | ||||||
| 1 | Afatinib was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Breast cancer resistance protein (BCRP/ABCG2) and P-glycoprotein (P-gp/ABCB1) transport afatinib and restrict its oral availability and brain accumulation. Pharmacol Res. 2017 Jun;120:43-50. | |||||
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