Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01467
|
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| Drug Name |
Geneticin
|
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| Synonyms |
Geneticin; geneticin; antibiotic G 418; antibiotic G-418; UNII-A08F5XTI6G; 49863-47-0; BRN 1669188; A08F5XTI6G; O-2-Amino-2,7-dideoxy-D-glycero-alpha-D-gluco-heptopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-D-streptamine; G 418 sulfate; G 418; G-418; C20H40N4O10; GET; D-Streptamine, O-2-amino-2,7-dideoxy-D-glycero-alpha-D-gluco-heptopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-; AC1L3XFV; SCHEMBL5006573; CHEMBL215226; DTXSID10198129
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| Drug Type |
Small molecular drug
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| Indication | Bacterial infections [ICD11:1A00-1H0Z] | Preclinical | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C20H40N4O10
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| Canonical SMILES |
CC(C1C(C(C(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)O)O)O
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| InChI |
InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1
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| InChIKey |
BRZYSWJRSDMWLG-DJWUNRQOSA-N
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| CAS Number |
CAS 49863-47-0
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| Pharmaceutical Properties | Molecular Weight | 496.6 | Topological Polar Surface Area | 248 | ||
| Heavy Atom Count | 34 | Rotatable Bond Count | 6 | |||
| Hydrogen Bond Donor Count | 10 | Hydrogen Bond Acceptor Count | 14 | |||
| XLogP |
-5.8
|
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| PubChem CID | ||||||
| PubChem SID |
651382
,7887824
,26708770
,29304044
,50047889
,51060325
,57340625
,85286096
,96024033
,103072798
,103078072
,103499571
,104419512
,127324866
,127324867
,127324868
,127324869
,127324870
,127324871
,127324872
,127324873
,127324874
,131271576
,135080171
,139650597
,163716078
,184548255
,198948062
,223873142
,230880711
,243275896
,252300370
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Antibiotic from Micromonospora. Annu Rev Microbiol. 1980;34:537-57. | |||||
| 2 | ATP-binding cassette transporters as pitfalls in selection of transgenic cells. Anal Biochem. 2010 Apr 15;399(2):246-50. | |||||
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