UCSF

ZINC01735106

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 22 No

Popular Name: 4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-propyl-; 6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-10,11-diol; 6-propylnorapomorphine; C19H21NO2; LS-175927; N-n-propylnorapomorphine; N-propylnorapomorphine; n-propylapomorphine; pr 4H-Dibenzo(de,g)quinoline-10,11-…

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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) 3.77 7.09 -42.58 3 3 1 45 296.39 2 ↓
Mid Mid (pH 6-8) 3.77 4.89 -7.61 2 3 0 44 295.382 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 670 0.39 Binding ≤ 10μM
TY3H-1-E Tyrosine 3-hydroxylase (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.38 Binding ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 370 0.41 Functional ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 370 0.41 Functional ≤ 10μM
DRD4-1-E Dopamine D4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 370 0.41 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 370 0.41 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 38 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_BOVIN Q95136 Dopamine D1 Receptor, Bovin 3.5 0.54 Binding ≤ 1μM
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 3.5 0.54 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 38 0.47 Binding ≤ 1μM
TY3H_HUMAN P07101 Tyrosine 3-hydroxylase, Human 1000 0.38 Binding ≤ 1μM
DRD1_BOVIN Q95136 Dopamine D1 Receptor, Bovin 3.5 0.54 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 1345 0.37 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 38 0.47 Binding ≤ 10μM
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 3.5 0.54 Binding ≤ 10μM
TY3H_HUMAN P07101 Tyrosine 3-hydroxylase, Human 1000 0.38 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 370 0.41 Functional ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 370 0.41 Functional ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 370 0.41 Functional ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 370 0.41 Functional ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 370 0.41 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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