Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01407
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| Drug Name |
Pemirolast
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| Synonyms |
Pemirolastum; Pemirox; Pemirolast [INN]; Pemiroplast Potassium; Alamast (TN); Alegysal (TN); Pemirolast (INN); Pemirolastum [INN-Latin]; Pemirox (TN); 9-TBX; 9-methyl-3-(1H-tetrazol-5-yl)-4H-pyrido(1,2-a)pyrimidin-4-one; 9-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
|
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| Drug Type |
Small molecular drug
|
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| Indication | Itching of the eye due to allergic conjunctivitis [ICD11:9A60.02] | Approved | [1] | |||
| Therapeutic Class |
Antiallergic Agents
|
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| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C10H8N6O
|
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| Canonical SMILES |
CC1=CC=CN2C1=NC=C(C2=O)C3=NNN=N3
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| InChI |
InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)
|
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| InChIKey |
HIANJWSAHKJQTH-UHFFFAOYSA-N
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| CAS Number |
CAS 100299-08-9
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| Pharmaceutical Properties | Molecular Weight | 228.21 | Topological Polar Surface Area | 87.1 | ||
| Heavy Atom Count | 17 | Rotatable Bond Count | 1 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 5 | |||
| XLogP |
-0.3
|
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| PubChem CID | ||||||
| PubChem SID |
8185373
,14773738
,14822841
,43115342
,46509034
,50065081
,50563413
,57313910
,85209679
,93166875
,96024435
,104313292
,123092154
,128063839
,131269071
,134338322
,135035415
,137007584
,137035161
,142971147
,160964226
,162178777
,164814579
,175268367
,178103901
,179150951
,179326618
,223797099
,226416213
,252355732
|
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| ChEBI ID |
CHEBI:134936
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | MRP2 | Transporter Info | Multidrug resistance-associated protein 2 | Substrate | [2] | |
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | ||
| References | ||||||
| 1 | Pemirolast was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007. | |||||
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