UCSF

ZINC26267937

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 26 Yes

Popular Name: N-(1,3-benzodioxol-5-yl)-5-dimethylamino-naphthalene-1-sulfonamide N-(1,3-benzodioxol-5-yl)-5-dimet…

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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) 3.81 6.62 -10.67 1 6 0 68 370.43 4 ↓
Hi High (pH 8-9.5) 3.81 6.63 -46.54 0 6 -1 70 369.422 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EDNRA-3-E Endothelin Receptor ET-A (cluster #3 Of 3), Eukaryotic Eukaryotes 370 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EDNRA_RAT P26684 Endothelin Receptor ET-A, Rat 370 0.35 Binding ≤ 1μM
EDNRA_RAT P26684 Endothelin Receptor ET-A, Rat 370 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Peptide ligand-binding receptors

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

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