UCSF

ZINC03875408

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 31 No

Popular Name: Phlorizin Phlorizin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 60-81-1 , 7061-54-3 , CAS# 60-81-1 , [60-81-1] , [7061-54-3]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.40 -7.05 -15.96 7 10 0 177 436.413 7 ↓
Hi High (pH 8-9.5) 0.40 -6.32 -45.6 6 10 -1 180 435.405 7 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.122 Bitter DB
M.P. 110-120 C Indofine
MP 110-120o C Indofine
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
UniProt Database Links HXC11_HUMAN; LCTL_HUMAN; LCTL_MOUSE; LPH_HUMAN; LPH_RABIT; LPH_RAT; PMAT1_ARATH; SC5AB_RABIT; SC5AB_RAT ChEBI
Therapy induces experimental glucosuria, antifeedant SMDC MicroSource
Warnings IRRITANT Matrix Scientific
SOLUBILITY Methanol Indofine
Target Others Selleck Chemicals
Target SGLT Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC5A1-1-E Sodium/glucose Cotransporter 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 330 0.29 Binding ≤ 10μM
SC5A2-1-E Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 752 0.28 Binding ≤ 10μM
SC5A4-1-E Low Affinity Sodium-glucose Cotransporter (cluster #1 Of 1), Eukaryotic Eukaryotes 16 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC5A4_HUMAN Q9NY91 Low Affinity Sodium-glucose Cotransporter, Human 16 0.35 Binding ≤ 1μM
SC5A1_HUMAN P13866 Sodium/glucose Cotransporter 1, Human 180 0.30 Binding ≤ 1μM
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 100 0.32 Binding ≤ 1μM
SC5A4_HUMAN Q9NY91 Low Affinity Sodium-glucose Cotransporter, Human 16 0.35 Binding ≤ 10μM
SC5A1_HUMAN P13866 Sodium/glucose Cotransporter 1, Human 180 0.30 Binding ≤ 10μM
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 100 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hexose transport
Inositol transporters
Na+-dependent glucose transporters

Analogs ( Draw Identity 99% 90% 80% 70% )