Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01250
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| Drug Name |
Spermidine
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| Synonyms |
124S209; 1pot; 4-04-00-01300 (Beilstein Handbook Reference); =99% (GC); AC1L1AQB; ACMC-20ajn3; AI3-26636; AJ-26792; AKOS006222987; AN-22947; ATHGHQPFGPMSJY-UHFFFAOYSA-N; Aminopropylbutandiamine; BDBM50009353; BPBio1_001276; BRN 1698591; BSPBio_002613; Biomol-NT_000212; C00315; CCG-205124; CHEBI:16610; CHEMBL19612; CS-0013804; CTK3J1693; DB-026892; DB03566; DTXSID4036645; DivK1c_001007; EINECS 204-689-0; FT-0629162; GTPL2390; HY-B1776; IDI1_001007; KBio1_001007; KBio2_000345; KBio2_002913; KBio2_005481; KBio3_001833; KBioGR_001542; KBioSS_000345; LS-45643; Lopac-S-2501; Lopac0_001047; M923; MCULE-8096530192; MFCD00008229; MolPort-001-761-230; N-(3-Aminopropyl)-4-aminobutylamine; N-(4-Aminobutyl)-1,3-diaminopropane; NCGC00015937-01; NCGC00015937-02; NCGC00015937-03; NCGC00015937-04; NCGC00015937-05; NCGC00024903-01; NCGC00024903-02; NCGC00024903-03; NCI60_004294; NINDS_001007; NSC528399; PA(34); RTR-003757; SC-69371; SCHEMBL15618; SDCCGMLS-0066822.P001; SPBio_000947; SR0; ST24048721; ST45025991; Spectrum2_000874; Spectrum3_000977; Spectrum4_001101; Spectrum5_001561; Spectrum_000005; Spermidin; Spermidine 0.1 M solution; Spermidine hydrochloride; Spermidine, > Spermidine, analytical standard; TR-003757; Tocris-0959; U87FK77H25; UNII-U87FK77H25; ZINC1532612; bmse000116; bmse000951; bmse000955
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| Drug Type |
Small molecular drug
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| Indication | Plaque psoriasis [ICD11:EA90.0] | Preclinical | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C7H19N3
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| Canonical SMILES |
C(CCNCCCN)CN
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| InChI |
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
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| InChIKey |
ATHGHQPFGPMSJY-UHFFFAOYSA-N
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| CAS Number |
CAS 124-20-9
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| Pharmaceutical Properties | Molecular Weight | 145.25 | Topological Polar Surface Area | 64.099 | ||
| Heavy Atom Count | 10 | Rotatable Bond Count | 7 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 3 | |||
| XLogP |
-1
|
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| PubChem CID | ||||||
| PubChem SID |
11111787
,11113819
,11336182
,11361421
,11362759
,11365321
,11367883
,11371932
,11374680
,11376045
,11408685
,11462393
,11484683
,11488690
,11490792
,11492915
,11493819
,11537848
,15146776
,17436308
,24439453
,24771118
,24845842
,24888388
,24888389
,24899434
,24899529
,24899590
,26706955
,26710067
,26713681
,26737363
,26751992
,3134393
,31647434
,3609
,46392889
,46504199
,46504202
,46506086
,47365289
,47440358
,5612033
,600884
,7890553
,8143482
,8150974
,825208
,829689
,833127
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| ChEBI ID |
CHEBI:16610
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | 1-Oct | Transporter Info | Organic cation transporter 1 | Substrate | [2] | |
| SLC18B1 | Transporter Info | MFS-type transporter SLC18B1 | Substrate | [3] | ||
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | SLC18B1 | Transporter Info | Km =4200 microM | High five cells-SLC18B1 | [3] | |
| References | ||||||
| 1 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | |||||
| 2 | Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007. | |||||
| 3 | Identification of a mammalian vesicular polyamine transporter. Sci Rep. 2014 Oct 30;4:6836. | |||||
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