Natural Product (NP) Details
| General Information of the NP (ID: NP8491) | |||||
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| Name |
Acarbose
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| Synonyms |
acarbose; 56180-94-0; Glucobay; Precose; Acarbosum; Prandase; CHEBI:2376; MFCD00869592; BAY-g 5421; C25H43NO18; 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose; SMR000466376; SR-01000759407; Acarbose/; Glucobay;; Prandase;; Precose;; Acarbose,(S); Precose (TN); Acarbose (JAN/USAN/INN); MLS000759506; MLS001424056; MLS006011898; SPECTRUM1505172; CHEMBL404271; SCHEMBL5316305; CHEMBL3734896; BDBM23406; HMS2051F03; HMS2093I22; HMS2236P06; Pharmakon1600-01505172; C25H43NO18;; ABP000588; BBL030515; BDBM50180587; NSC758915; STK801930; AKOS005622515; AB07578; CCG-100913; CCG-213345; MCULE-2053937515; MD-0230; NC00163; NSC-758915; NCGC00160515-01; SBI-0206777.P001; C06802; D00216; J10300; AB00639959-06; AB00639959_08; Abamectin, Antibiotic for Culture Media Use Only; 180A940; Q-200574; SR-01000759407-4; SR-01000759407-5; SR-01000759407-6; xan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol; BRD-A16444946-001-07-1; (3R,4R,5S,6R)-5-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4-triol; (3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)o; (3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol; 4',6'-Dideoxy-4'-([1S]-[1,4,6/5]-4,5,6-trihydroxy-3-hydroxymethyl-2-yclohexenylamino)-maltotriose; 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose; Precose (TN);
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| Species Origin | Actinoplanes utahensis ... | Click to Show/Hide | |||
| Actinoplanes utahensis | |||||
| Disease | Acute diabete complication [ICD-11: 5A2Y] | Approved | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-7.085
MDCK Permeability
-4.952
PAMPA
+++
HIA
+++
Distribution
VDss
-0.537
PPB
14.1%
BBB
- - -
Metabolism
CYP1A2 inhibitor
- - -
CYP1A2 substrate
- - -
CYP2C19 inhibitor
- - -
CYP2C19 substrate
- - -
CYP2C9 inhibitor
- - -
CYP2C9 substrate
- - -
CYP2D6 inhibitor
- - -
CYP2D6 substrate
- - -
CYP3A4 inhibitor
- - -
CYP3A4 substrate
- - -
CYP2B6 inhibitor
- - -
CYP2B6 substrate
- - -
CYP2C8 inhibitor
+++
HLM Stability
- - -
Excretion
CLplasma
0.044
T1/2
3.739
Toxicity
DILI
++
Rat Oral Acute Toxicity
- - -
FDAMDD
- - -
Respiratory
- - -
Human Hepatotoxicity
-
Ototoxicity
+++
Drug-induced Nephrotoxicity
+++
Drug-induced Neurotoxicity
- - -
Hematotoxicity
-
Genotoxicity
- - -
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++).
2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C25H43NO18
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| PubChem CID | |||||
| Canonical SMILES |
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)O)CO
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| InChI |
1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
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| InChIKey |
XUFXOAAUWZOOIT-UGEKTDRHSA-N
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| CAS Number |
CAS 56180-94-0
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| ChEBI ID | |||||
| TTD Drug ID | |||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP | ||||||
| Cyclosporin | Psoriasis vulgaris | Click to Show/Hide the Molecular Data of This Drug | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Down-regulation | Expression | IL17 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | IL22 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | IL23 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | TNF | Molecule Info |
Pathway MAP
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| In-vivo Model | Male BALB/c mice aged 6 weeks were used in this study. | |||||
| Experimental
Result(s) |
Acar and low-dose CsA in combination alleviates psoriatic skin lesions by inhibiting inflammation. | |||||
| Target and Pathway | ||||
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| Target(s) | Intestinal maltase-glucoamylase (MGAM) | Molecule Info | [3] | |
| KEGG Pathway | Galactose metabolism | Click to Show/Hide | ||
| 2 | Starch and sucrose metabolism | |||
| 3 | Metabolic pathways | |||
| 4 | Carbohydrate digestion and absorption | |||
| Pathwhiz Pathway | Starch and Sucrose Metabolism | Click to Show/Hide | ||
| WikiPathways | Metabolism of carbohydrates | Click to Show/Hide | ||
