General Information of the Compound
| Compound ID |
CP0069705
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEBI:6888
Show/Hide
|
||||||||||||||||||
| Synonyms |
Depo-medrol
M-predrol
Medrol
Medrol Acetate
Methylprednisolone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H30O5
|
||||||||||||||||||
| Molecular Weight |
374.477
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
Show/Hide
|
||||||||||||||||||
| 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
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHRSUDSXCMQTMA-PJHHCJLFSA-N
|
||||||||||||||||||
| CAS |
121673-01-6
570-35-4
83-43-2
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05334, ATP-binding cassette sub-family C member 4
Protein ID: PT06109, Geminin
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT04880, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Clinical Information about the Compound
Drug 1 ( Methylprednisolone )
| Drug Name | Methylprednisolone | ||
|---|---|---|---|
| Company | Pharmacia And Upjohn Co | ||
| Indication | |||
| Target(s) | |||