UCSF

ZINC13759799

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 15 Yes

Popular Name: (S)-6-(Propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol hydrobromide (S)-6-(Propylamino)-5,6,7,8-tetr…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 101470-23-9 , 165950-84-5 , 78950-82-0 , [165950-84-5]

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) 3.22 4.83 -42.78 3 2 1 37 206.309 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.84 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 76 0.66 Binding ≤ 10μM
EPYC-1-E Small Chondroitin/dermatan Sulfate Proteoglycan (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.84 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 285 0.61 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 285 0.61 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 0.75 0.85 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 76 0.66 Binding ≤ 1μM
EPYC_HUMAN Q99645 Small Chondroitin/dermatan Sulfate Proteoglycan, Human 0.5 0.87 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 285 0.61 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 0.75 0.85 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 76 0.66 Binding ≤ 10μM
EPYC_HUMAN Q99645 Small Chondroitin/dermatan Sulfate Proteoglycan, Human 0.5 0.87 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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

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