UCSF

ZINC03870310

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 18 Yes

Popular Name: 7-(Dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol hydrobromide 7-(Dipropylamino)-5,6,7,8-tetrah…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 159795-63-8 , 74938-11-7 , 76135-30-3 , [159795-63-8] , [74938-11-7]

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) 3.90 7.65 -38.04 2 2 1 25 248.39 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT1A-1-E Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 73 0.56 Binding ≤ 10μM
5HT1A-1-E Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 3260 0.43 Binding ≤ 10μM
ADA2A-3-E Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 1200 0.46 Binding ≤ 10μM
ADA2B-1-E Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1200 0.46 Binding ≤ 10μM
ADA2C-3-E Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 1200 0.46 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.65 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 9 0.63 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 110 0.54 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 148 0.53 Binding ≤ 10μM
EPYC-1-E Small Chondroitin/dermatan Sulfate Proteoglycan (cluster #1 Of 1), Eukaryotic Eukaryotes 34 0.58 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 23 0.59 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 54 0.57 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 400 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 5 0.65 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 142 0.53 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 142 0.53 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 0.67 0.71 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 0.531 0.72 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 148 0.53 Binding ≤ 1μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 72.7 0.56 Binding ≤ 1μM
5HT1A_HUMAN P08908 Serotonin 1a (5-HT1a) Receptor, Human 47 0.57 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 23.2 0.59 Binding ≤ 1μM
EPYC_HUMAN Q99645 Small Chondroitin/dermatan Sulfate Proteoglycan, Human 275 0.51 Binding ≤ 1μM
ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 1200 0.46 Binding ≤ 10μM
ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 1200 0.46 Binding ≤ 10μM
ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 1200 0.46 Binding ≤ 10μM
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 5 0.65 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 142 0.53 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 142 0.53 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 0.67 0.71 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 0.531 0.72 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 148 0.53 Binding ≤ 10μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 2800 0.43 Binding ≤ 10μM
5HT1A_HUMAN P08908 Serotonin 1a (5-HT1a) Receptor, Human 47 0.57 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 23.2 0.59 Binding ≤ 10μM
EPYC_HUMAN Q99645 Small Chondroitin/dermatan Sulfate Proteoglycan, Human 275 0.51 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenaline signalling through Alpha-2 adrenergic receptor
Adrenaline,noradrenaline inhibits insulin secretion
Adrenoceptors
Dopamine receptors
G alpha (i) signalling events
G alpha (z) signalling events
Serotonin receptors

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