Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01362
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| Drug Name |
Befloxatone
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| Synonyms |
MD-370503
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| Drug Type |
Small molecular drug
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| Indication | Major depressive disorder [ICD11:6A70.3] | Discontinued in Phase 3 | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C15H18F3NO5
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| Canonical SMILES |
COCC1CN(C(=O)O1)C2=CC=C(C=C2)OCCC(C(F)(F)F)O
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| InChI |
InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m1/s1
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| InChIKey |
IALVDLPLCLFBCF-CHWSQXEVSA-N
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| CAS Number |
CAS 134564-82-2
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| Pharmaceutical Properties | Molecular Weight | 349.3 | Topological Polar Surface Area | 68.2 | ||
| Heavy Atom Count | 24 | Rotatable Bond Count | 7 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 8 | |||
| XLogP |
2.2
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| PubChem CID | ||||||
| PubChem SID | ||||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| References | ||||||
| 1 | The IUPHAR/BPS Guide to PHARMACOLOGY in 2018: updates and expansion to encompass the new guide to IMMUNOPHARMACOLOGY. Nucleic Acids Res. 2018 Jan 4;46(D1):D1091-D1106. (familyId=6637) | |||||
| 2 | Transport of selected PET radiotracers by human P-glycoprotein (ABCB1) and breast cancer resistance protein (ABCG2): an in vitro screening. J Nucl Med. 2011 Mar;52(3):415-23. | |||||
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