UCSF

ZINC08699656

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 12 Yes

Popular Name: 5-Fluoro-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride 5-Fluoro-1,2,3,4-tetrahydronapht…

Find On: PubMed — Wikipedia — Google

CAS Number: 173996-43-5

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) 1.61 4.25 -49.69 3 1 1 28 166.219 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0757677A1; US5538988; US5719280; WO1995029165A2 IBM Patent Data

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 525 0.73 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 150 0.80 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 864 0.71 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 585 0.73 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 150 0.80 Binding ≤ 1μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 525 0.73 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 585 0.73 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 150 0.80 Binding ≤ 10μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 525 0.73 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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