UCSF

ZINC03632418

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 19 Yes

Popular Name: 2,3-Dihydro-5-phenyl-5H-imidazo(2,1-a)isoiadol-5-ol; 5H-Imidazo(2,1-a)isoindol-5-ol, 2,3-dihydro-5-phenyl-; BRN 0538258; LS-77873 2,3-Dihydro-5-phenyl-5H-imidazo(…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD01721876

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) 1.84 5.86 -28.29 2 3 1 37 251.309 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC6A2-2-E Norepinephrine Transporter (cluster #2 Of 2), Eukaryotic Eukaryotes 100 0.52 Binding ≤ 10μM
SC6A3-1-E Dopamine Transporter (cluster #1 Of 3), Eukaryotic Eukaryotes 1070 0.44 Binding ≤ 10μM
SC6A4-1-E Serotonin Transporter (cluster #1 Of 4), Eukaryotic Eukaryotes 1760 0.42 Binding ≤ 10μM
SC6A2-2-E Norepinephrine Transporter (cluster #2 Of 3), Eukaryotic Eukaryotes 3 0.63 Functional ≤ 10μM
SC6A3-1-E Dopamine Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 730 0.45 Functional ≤ 10μM
SC6A4-1-E Serotonin Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 2140 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A3_RAT P23977 Dopamine Transporter, Rat 66 0.53 Binding ≤ 1μM
SC6A2_HUMAN P23975 Norepinephrine Transporter, Human 100 0.52 Binding ≤ 1μM
SC6A3_HUMAN Q01959 Dopamine Transporter, Human 1070 0.44 Binding ≤ 10μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 66 0.53 Binding ≤ 10μM
SC6A2_HUMAN P23975 Norepinephrine Transporter, Human 100 0.52 Binding ≤ 10μM
SC6A4_HUMAN P31645 Serotonin Transporter, Human 1760 0.42 Binding ≤ 10μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 124 0.51 Functional ≤ 10μM
SC6A3_HUMAN Q01959 Dopamine Transporter, Human 730 0.45 Functional ≤ 10μM
SC6A2_HUMAN P23975 Norepinephrine Transporter, Human 2.8 0.63 Functional ≤ 10μM
SC6A4_HUMAN P31645 Serotonin Transporter, Human 2140 0.42 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% )