UCSF

ZINC06718097

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2006 20 Yes

Popular Name: PF-18298 PF-18298

Find On: PubMed — Wikipedia — Google

Other Names:

DNC010654

PF-184298

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) 3.19 -0.55 -35.95 2 3 1 36 316.252 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 5800 0.37 Binding ≤ 10μM
SC6A2-1-E Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic Eukaryotes 21 0.54 Binding ≤ 10μM
SC6A3-1-E Dopamine Transporter (cluster #1 Of 3), Eukaryotic Eukaryotes 544 0.44 Binding ≤ 10μM
SC6A4-3-E Serotonin Transporter (cluster #3 Of 4), Eukaryotic Eukaryotes 6 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A3_HUMAN Q01959 Dopamine Transporter, Human 544 0.44 Binding ≤ 1μM
SC6A2_HUMAN P23975 Norepinephrine Transporter, Human 21 0.54 Binding ≤ 1μM
SC6A4_HUMAN P31645 Serotonin Transporter, Human 6 0.58 Binding ≤ 1μM
SC6A3_HUMAN Q01959 Dopamine Transporter, Human 544 0.44 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 5800 0.37 Binding ≤ 10μM
SC6A2_HUMAN P23975 Norepinephrine Transporter, Human 21 0.54 Binding ≤ 10μM
SC6A4_HUMAN P31645 Serotonin Transporter, Human 6 0.58 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine clearance from the synaptic cleft
G alpha (i) signalling events
Na+/Cl- dependent neurotransmitter transporters
Peptide ligand-binding receptors

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