Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01471
|
|||||
| Drug Name |
AG1478
|
|||||
| Synonyms |
AG-1478; 153436-53-4; Tyrphostin AG 1478; N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine; 175178-82-2; Tyrphostin AG-1478; 4-(3-Chloroanilino)-6,7-dimethoxyquinazoline; AG 1478; AG1478; TYRPHOSTIN; 4-Quinazolinamine, N-(3-chlorophenyl)-6,7-dimethoxy-; UNII-SUH0SEZ9HY; SUH0SEZ9HY; AG-1478 hydrochloride; AG-1478 (Tyrphostin AG-1478); CHEMBL7917; CHEBI:75404; N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine; NSC-693255; AK-63142; N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine; BRD6408; BRD-6408; SR-01000076156; NSC693255
|
|||||
| Drug Type |
Small molecular drug
|
|||||
| Indication | Nasopharyngeal carcinoma [ICD11:2B6B] | Preclinical | [1] | |||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C16H14ClN3O2
|
|||||
| Canonical SMILES |
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC
|
|||||
| InChI |
InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
|
|||||
| InChIKey |
GFNNBHLJANVSQV-UHFFFAOYSA-N
|
|||||
| CAS Number |
CAS 153436-53-4
|
|||||
| Pharmaceutical Properties | Molecular Weight | 315.75 | Topological Polar Surface Area | 56.3 | ||
| Heavy Atom Count | 22 | Rotatable Bond Count | 4 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 5 | |||
| XLogP |
4
|
|||||
| PubChem CID | ||||||
| PubChem SID |
523974
,3267095
,5600223
,8033257
,8151403
,11111880
,11114011
,11120225
,11120713
,11121201
,11121455
,11121935
,11147308
,11362524
,11365086
,11367648
,11370319
,11370320
,11373249
,11375810
,11382272
,11437777
,12024897
,14801206
,17405683
,24278735
,26527902
,26752149
,26752150
,26759702
,29221232
,47290912
,47290913
,47588775
,47588776
,47662031
,48184767
,48258972
,49635532
,50104794
,50104795
,53778233
,53787589
,53800470
,57321117
,80516749
,85231256
,85267415
,85787241
,85787738
|
|||||
| ChEBI ID |
CHEBI:75404
|
|||||
| 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 | EGFR tyrosine kinase inhibitor AG1478 inhibits cell proliferation and arrests cell cycle in nasopharyngeal carcinoma cells. Cancer Lett. 2001 Aug 10;169(1):27-32. | |||||
| 2 | Inhibiting the function of ABCB1 and ABCG2 by the EGFR tyrosine kinase inhibitor AG1478. Biochem Pharmacol. 2009 Mar 1;77(5):781-93. | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.