UCSF

ZINC04217252

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 36 Yes

Popular Name: Penfluridol Penfluridol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 26864-56-2 , [26864-56-2]

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) 7.33 15.74 -55.16 2 2 1 25 524.981 8 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Therapy antipsychotic SMDC Pharmakon
Target Dopamine Receptor Selleck Chemicals
Warnings IRRITANT Matrix Scientific
Target Others Selleck Chemicals
Indications schizophrenia KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 62 0.28 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 62 0.28 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 62 0.28 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 62 0.28 Binding ≤ 10μM
Z103267-1-O H4 (cluster #1 Of 1), Other Other 3200 0.21 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 62 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 62 0.28 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 62 0.28 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 62 0.28 Binding ≤ 1μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 62 0.28 Binding ≤ 1μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 62 0.28 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 62 0.28 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 62 0.28 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 62 0.28 Binding ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 62 0.28 Binding ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 62 0.28 Binding ≤ 10μM
Z103267 Z103267 H4 3200 0.21 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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

No pre-computed analogs available. Try a structural similarity search.