Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01249
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| Drug Name |
Spermine
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| Synonyms |
1,4-Bis(aminopropyl) butanediamine; 1,4-Bis(aminopropyl)butanediamine; 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-; 1,4-Diaminobutane, N,N'-bis; 4,9-Diaza-1,12-dodecanediamine; 4,9-Diazadodecamethylenediamine; 4,9-Diazadodecane-1,12-diamine; 71-44-3; Diaminopropyltetramethylenediamine; N,N'-Bis(3-aminopropyl)-1,4-butanediamine; N,N'-Bis(3-aminopropyl)butane-1,4-diamine; N1,N1'-(Butane-1,4-diyl)bis(propane-1,3-diamine); Spermin; Spermine Derivative; Spermine, puriss; UNII-2FZ7Y3VOQX; gerontine; musculamine; neuridine; spermine
|
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD11:N.A.] | Preclinical | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C10H26N4
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| Canonical SMILES |
C(CCNCCCN)CNCCCN
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| InChI |
InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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| InChIKey |
PFNFFQXMRSDOHW-UHFFFAOYSA-N
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| CAS Number |
CAS 71-44-3
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| Pharmaceutical Properties | Molecular Weight | 202.34 | Topological Polar Surface Area | 76.1 | ||
| Heavy Atom Count | 14 | Rotatable Bond Count | 11 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
-1.1
|
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| PubChem CID | ||||||
| PubChem SID |
10317955
,10533682
,11111791
,11113818
,11439632
,11446854
,140612
,14748726
,24439454
,24888220
,24899550
,24899594
,26701763
,26701869
,26704188
,26704193
,26704197
,26704245
,26704375
,26704579
,26705140
,26705170
,26705322
,26705370
,26705680
,26706947
,26706956
,26709511
,26710174
,26711528
,26712356
,26712786
,26713080
,26713117
,26713121
,26713142
,26713516
,26713534
,26713537
,3134394
,4012
,5612034
,585338
,600883
,7890561
,7980642
,8143356
,8150975
,826607
,855222
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| ChEBI ID |
CHEBI:15746
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | SLC18B1 | Transporter Info | MFS-type transporter SLC18B1 | Substrate | [2] | |
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | SLC18B1 | Transporter Info | Km =94 microM | High five cells-SLC18B1 | [2] | |
| References | ||||||
| 1 | ClinicalTrials.gov (NCT04004091) Prenatal Administration of Spermine Promotes Maturation of Premature Fetal Gut Epithelial Tight Junction: Experimental Study on Fetal Rabbit | |||||
| 2 | Identification of a mammalian vesicular polyamine transporter. Sci Rep. 2014 Oct 30;4:6836. | |||||
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