UCSF

ZINC00011665

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 23 No

Popular Name: BRD-K16604360-001-01-8 BRD-K16604360-001-01-8

Find On: PubMed — Wikipedia — Google

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) 3.25 4.3 -46.01 4 4 1 65 312.389 2 ↓
Mid Mid (pH 6-8) 3.25 2.11 -9.88 3 4 0 64 311.381 2 ↓

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 920 0.37 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.38 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 600 0.38 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.38 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.55 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.55 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 3162 0.33 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 600 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 25 0.46 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 0.1 0.61 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 25 0.46 Binding ≤ 1μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 25 0.46 Binding ≤ 1μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 25 0.46 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 1720 0.35 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 0.1 0.61 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 25 0.46 Binding ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 25 0.46 Binding ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 25 0.46 Binding ≤ 10μM
DRD1_BOVIN Q95136 Dopamine D1 Receptor, Bovin 1.15 0.54 Functional ≤ 10μM
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 1.15 0.54 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 2511.88643 0.34 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events
G alpha (s) signalling events

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