UCSF

ZINC13759788

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 16 Yes

Popular Name: (S)-5-Methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (S)-5-Methoxy-N-propyl-1,2,3,4-t…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 101403-24-1 , 3899-07-8 , 93601-86-6 , [93601-85-5] , [93601-86-6]

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) 3.29 6.98 -41.72 2 2 1 26 220.336 4 ↓

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 136 0.60 Binding ≤ 10μM
DRD4-2-E Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 485 0.55 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 380 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 380 0.56 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 136 0.60 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 485 0.55 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 380 0.56 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 136 0.60 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 485 0.55 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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