UCSF

ZINC02567332

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Popular Name: (S)-5-Methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride (S)-5-Methoxy-1,2,3,4-tetrahydro…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 105086-80-4 , 3880-88-4 , 4018-91-1 , 439133-67-2 , 58349-17-0 , [439133-67-2] , [58349-17-0]

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) 1.50 3.59 -47.71 3 2 1 37 178.255 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

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 683 0.66 Binding ≤ 10μM
ADA1A-1-E Alpha-1a Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 2200 0.61 Functional ≤ 10μM
ADA1D-1-E Alpha-1d Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 2200 0.61 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 334 0.70 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 334 0.70 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 683 0.66 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 334 0.70 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 683 0.66 Binding ≤ 10μM
ADA1A_RABIT O02824 Alpha-1a Adrenergic Receptor, Rabit 2200 0.61 Functional ≤ 10μM
ADA1D_RABIT O02666 Alpha-1d Adrenergic Receptor, Rabit 2200 0.61 Functional ≤ 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.