Natural Product (NP) Details

General Information of the NP (ID: NP3689)
Name
Carnosine
Synonyms
L-Carnosine; Carnosine; 305-84-0; beta-Alanyl-L-histidine; Ignotine; Karnozin; Karnozzn; L-Histidine, beta-alanyl-; L-Ignotine; N-2-M; UNII-8HO6PVN24W; Polaprezinc; CHEBI:15727; Nalpha-(beta-alanyl)-L-histidine; L-HISTIDINE, N-beta-ALANYL-; MFCD00005207; NSC 524045; BRN 0087671; 8HO6PVN24W; (3-aminopropanoyl)-L-histidine; L-Histidine, N-.beta.-alanyl-; beta-Alanylhistidine; L-Carnosine, 98%; carnosine zwitterion; Z-103; Z 103; N-beta-alanyl-L-histidine; (2S)-2-(3-aminopropanamido)-3-(1H-imidazol-4-yl)propanoic acid; (2S)-2-(3-aminopropanoylamino)-3-imidazol-4-ylpropanoic acid; (2~{S})-2-(3-azanylpropanoylamino)-3-(1~{H}-imidazol-4-yl)propanoic acid; .beta.-Alanyl-L-histidine; Sevitin; betaAla-His; b-Alanylhistidine; beta-Ala-His-OH; EINECS 206-169-9; 3-Chloromandelicacid; b-Alanyl-L-histidine; PubChem6017; beta-alanyl-l-histidin; .beta.-Alanylhistidine; Spectrum_001178; N-b-alanyl-L-Histidine; SpecPlus_000374; Spectrum2_000454; Spectrum3_001212; Spectrum4_001673; Spectrum5_000605; 3-aminopropionyl-histidine; bmse000246; bmse001002; C00386; N-(b-Alanyl)-L-histidine; SCHEMBL33769; BSPBio_002624; KBioGR_002225; KBioSS_001658; 4-25-00-04381 (Beilstein Handbook Reference); DivK1c_006470; SPECTRUM1500944; N-(3-Aminopropanoyl)histidine; SPBio_000528; CHEMBL242948; GTPL4559; KBio1_001414; KBio2_001658; KBio2_004226; KBio2_006794; KBio3_002124; DTXSID80879594; L-Carnosine, ~99%, crystalline; TNP00340; ZINC2040854; N(alpha)-(beta-alanyl)-L-histidine; ANW-26923; BDBM50485554; CCG-38696; SBB003316; STL466172; AKOS010421481; AKOS015963345; CS-W014210; DB11695; HY-W013494; MCULE-5739145561; SDCCGMLS-0066726.P001; NCGC00017390-01; NCGC00017390-02; NCGC00142487-01; AC-17084; AC-19690; AC-31940; AS-12570; ST057076; A0222; L-Carnosine, Vetec(TM) reagent grade, 98%; S5226; 305C840; Q413822; SR-05000002473; SR-05000002473-1; (2S)-2-(3-aminopropanamido)-3-(1H-imidazol-5-yl)propanoic acid; (S)-2-(3-aminopropanamido)-3-(1H-imidazol-4-yl)propanoic acid; 8V0
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Species Origin Homo sapiens ...     Click to Show/Hide
Homo sapiens
Kingdom: Metazoa
Phylum: Chordata
Class: Mammalia
Order: Primates
Family: Hominidae
Genus: Homo
Species: Homo sapiens
Disease Diabetic retinopathy [ICD-11: 9B71] Investigative [1]
Structure
Click to Download Mol
2D MOL

3D MOL

ADMET Property
Absporption
Caco-2 Permeability
 -6.398
 
MDCK Permeability
 -5.537
 
PAMPA
 +++
 
HIA
 -
 
Distribution
VDss
 -0.394
 
PPB
 7.1%
 
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
 2.062
 
T1/2
 1.696
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
C9H14N4O3
PubChem CID
439224
Canonical SMILES
C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN
InChI
1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
InChIKey
CQOVPNPJLQNMDC-ZETCQYMHSA-N
CAS Number
CAS 305-84-0
ChEBI ID
CHEBI:15727
Herb ID
HBIN019758
TTD Drug ID
D0M9BA
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Lisinopril      Hypertension     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
                    In-vivo Model Male Sprague-Dawley rats were injected i.v. with streptozotocin (STZ) to induce diabetes.
                    Experimental
                    Result(s)		 Both carnosine and lisinopril exert distinct beneficial effects in a standard model of diabetic nephropathy. Both drugs administered together combine the respective effects of single treatment, albeit without exerting additive nephroprotection.
References
Reference 1 Carnosine improves diabetic retinopathy via the MAPK/ERK pathway. Exp Ther Med. 2019 Apr;17(4):2641-2647.
Reference 2 Carnosine treatment in combination with ACE inhibition in diabetic rats. Regul Pept. 2014 Nov;194-195:36-40.
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