UCSF

ZINC03831445

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 20 Yes

Popular Name: 4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine 4-(3,4-Dichlorophenyl)-N-methyl-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 140631-53-4 , 79559-97-0 , 79617-96-2 , 79617-99-5 , [140631-53-4] , [79617-89-3]

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) 3.98 10.34 -44.91 2 1 1 17 307.244 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q63380-1-E Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 22 0.54 Binding ≤ 10μM
SC6A3-1-E Dopamine Transporter (cluster #1 Of 3), Eukaryotic Eukaryotes 60 0.51 Binding ≤ 10μM
SC6A4-3-E Serotonin Transporter (cluster #3 Of 4), Eukaryotic Eukaryotes 50 0.51 Binding ≤ 10μM
Q9WTR4-1-E Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic Eukaryotes 44 0.51 Functional ≤ 10μM
SC6A3-1-E Dopamine Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 44 0.51 Functional ≤ 10μM
SC6A4-1-E Serotonin Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 470 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A3_RAT P23977 Dopamine Transporter, Rat 60 0.51 Binding ≤ 1μM
SC6A4_RAT P31652 Serotonin Transporter, Rat 50 0.51 Binding ≤ 1μM
Q63380_RAT Q63380 Transporter, Rat 22 0.54 Binding ≤ 1μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 60 0.51 Binding ≤ 10μM
SC6A4_RAT P31652 Serotonin Transporter, Rat 50 0.51 Binding ≤ 10μM
Q63380_RAT Q63380 Transporter, Rat 22 0.54 Binding ≤ 10μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 60 0.51 Functional ≤ 10μM
Q9WTR4_RAT Q9WTR4 Norepinephrine Transporter, Rat 20 0.54 Functional ≤ 10μM
SC6A4_RAT P31652 Serotonin Transporter, Rat 50 0.51 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine clearance from the synaptic cleft
Na+/Cl- dependent neurotransmitter transporters

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