UCSF

ZINC00000934

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 No

Popular Name: Amprolium Amprolium

Find On: PubMed — Wikipedia — Google

CAS Numbers: 121-25-5 , 137-88-2 , [137-88-2]

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) -2.86 6.65 -31.15 2 4 1 56 243.334 4 ↓
Mid Mid (pH 6-8) -2.86 7.2 -87.24 3 4 2 57 244.342 4 ↓

Vendor Notes

Note Type Comments Provided By
Therapy coccidiostat SMDC MicroSource
Target Others Selleck Chemicals
Target Vitamin Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S19A2-1-E Thiamine Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 7600 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
S19A2_HUMAN O60779 Thiamine Transporter 1, Human 7600 0.40 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Vitamin B1 (thiamin) metabolism

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

No pre-computed analogs available. Try a structural similarity search.