UCSF

ZINC49525754

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2010 24 Yes

Popular Name: 3-[1-(4-chlorophenyl)-2,2-dioxo-4H-benzo[c][1,2,6]thiadiazin-3-yl]-N-methyl-propan-1-amine 3-[1-(4-chlorophenyl)-2,2-dioxo-…

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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) 3.44 6.92 -48.81 2 5 1 57 366.894 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC6A2-1-E Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic Eukaryotes 910 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A2_HUMAN P23975 Norepinephrine Transporter, Human 910 0.35 Binding ≤ 1μM
SC6A2_HUMAN P23975 Norepinephrine Transporter, Human 910 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Na+/Cl- dependent neurotransmitter transporters

Rings

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

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