Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00128
|
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| Drug Name |
Methylprednisolone
|
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| Synonyms |
Depo-medrol; M-predrol; Medrol; Medrol Acetate; Methylprednisolone Acetate
|
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| Drug Type |
Small molecular drug
|
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| Indication | Chronic obstructive pulmonary disease [ICD11:CA22] | Approved | [1] | |||
| Asthma [ICD11:CA23] | Approved | [1] | ||||
| Tuberculosis [ICD11:1B1Z] | Approved | [1] | ||||
| Systemic lupus erythematosus [ICD11:4A40.0] | Approved | [1] | ||||
| Therapeutic Class |
Anticancer Agents
|
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C22H30O5
|
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| Canonical SMILES |
CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O
|
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| InChI |
InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
|
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| InChIKey |
VHRSUDSXCMQTMA-PJHHCJLFSA-N
|
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| CAS Number |
CAS 83-43-2
|
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| Pharmaceutical Properties | Molecular Weight | 374.5 | Topological Polar Surface Area | 94.8 | ||
| Heavy Atom Count | 27 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 5 | |||
| XLogP |
1.9
|
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| PubChem CID | ||||||
| PubChem SID |
103189214
,10321588
,103914078
,11406050
,11466307
,11467427
,11486113
,12159225
,14779784
,14853277
,24870169
,24896564
,29225690
,46504885
,47440566
,47589248
,48259526
,48334797
,48416259
,49698417
,50019481
,50104073
,50139236
,50796061
,53790220
,56311264
,56311302
,56311303
,56311483
,56312634
,56313960
,56313963
,56314026
,56314034
,56424125
,57323679
,57650805
,7847473
,7979947
,81093211
,811679
,8154374
,82706
,85300841
,855789
,85788445
,87560014
,92125124
,92309029
,93576705
|
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| ChEBI ID |
ChEBI:6888
|
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Methylprednisolone was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Secretory transport of methylprednisolone possibly mediated by P-glycoprotein in Caco-2 cells. Biol Pharm Bull. 2002 Mar;25(3):393-6. | |||||
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