UCSF

ZINC00005704

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 20 No

Popular Name: Fidarestat Fidarestat

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Download: MOL2 SDF SMILES Flexibase

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) -0.42 -1.91 -15.67 4 7 0 111 279.227 1 ↓
Mid Mid (pH 6-8) -0.23 -4.57 -47.33 3 7 -1 117 278.219 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.66e+00 g/l DrugBank-experimental

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALDR-1-E Aldose Reductase (cluster #1 Of 5), Eukaryotic Eukaryotes 570 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ALDR_HUMAN P15121 Aldose Reductase, Human 570 0.44 Binding ≤ 1μM
ALDR_RAT P07943 Aldose Reductase, Rat 570 0.44 Binding ≤ 1μM
ALDR_HUMAN P15121 Aldose Reductase, Human 570 0.44 Binding ≤ 10μM
ALDR_RAT P07943 Aldose Reductase, Rat 570 0.44 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Pregnenolone biosynthesis

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