Prodrug Information
| Prodrug General Information | Top | |||||
|---|---|---|---|---|---|---|
| Prodrug ID |
D0B9RJ
|
|||||
| Prodrug Name |
Ceftaroline fosamil
|
|||||
| Synonyms |
Ceftaroline inner salt; PPI-0903; CHEBI:70718; UNII-7P6FQA5D21; TAK-599; 7P6FQA5D21; ceftarolina fosamilo; Ceftaroline fosamil [USAN:INN:BAN]; ceftarolinum fosamilum; CHEMBL501122; SCHEMBL1464037; DTXSID60177444; BDBM50482776; DB06590
Click to Show/Hide
|
|||||
| Indication | Community-acquired pneumonia [ICD-11: CA40.Z] | Approved | [1] | |||
| Skin and skin-structure infection [ICD-11: 1F28-1G0Z] | Approved | [1] | ||||
| Activation |
Prodrug 
|
|
Parent Drug 
|
|||
| 2D MOL 3D MOL | 2D MOL 3D MOL | |||||
|
(1) Bioconversion Enzyme:
Phosphatase in plasma
(EC 3.1)
|
[1] | |||||
| Prodrug Strategy |
Classical prodrug strategy
[Carrier linked prodrug]
|
|||||
| Improved property |
Increase solubility
|
[2] | ||||
| Formula |
C22H21N8O8PS4
|
|||||
| Canonical SMILES |
CCO/N=C(/C1=NSC(=N1)NP(=O)(O)O)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)[O-]
|
|||||
| InChI |
1S/C22H21N8O8PS4/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37)/b26-13-/t14-,19-/m1/s1
|
|||||
| InChIKey |
ZCCUWMICIWSJIX-NQJJCJBVSA-N
|
|||||
| CAS Number |
CAS 229016-73-3
|
|||||
| PubChem Compound ID | ||||||
| ChEBI ID |
CHEBI:70718
|
|||||
| Parent Drug General Information | Top | |||||
|---|---|---|---|---|---|---|
| Parent Drug ID |
D8L3DK
|
|||||
| Parent Drug Name |
Ceftaroline
|
|||||
| Formula |
C22H21N8O5S4+
|
|||||
| Canonical SMILES |
CCON=C(C1=NSC(=N1)N)C(=O)NC2[C@@H]3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)O
|
|||||
| InChI |
1S/C22H20N8O5S4/c1-3-35-27-13(16-26-21(23)39-28-16)17(31)25-14-18(32)30-15(20(33)34)12(9-36-19(14)30)38-22-24-11(8-37-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H3-,23,25,26,28,31,33,34)/p+1/t14?,19-/m1/s1
|
|||||
| InChIKey |
RGFBRLNVZCCMSV-JANGERMGSA-O
|
|||||
| PubChem Compound ID | ||||||
| Target and Pathway | Top | |||||
|---|---|---|---|---|---|---|
| Target(s) | Bacterial Penicillin binding protein (Bact PBP) | Target Info | Binder | [1] | ||
| References | Top | |||||
|---|---|---|---|---|---|---|
| REF 1 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2011 | |||||
| REF 2 | Newly Developed Prodrugs and Prodrugs in Development; an Insight of the Recent Years. Molecules. 2020 Feb 17;25(4):884. | |||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.