UCSF

ZINC02539817

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 22 No

Popular Name: R(-)-N-Propylnorapomorphine hydrobromide R(-)-N-Propylnorapomorphine hydr…

Find On: PubMed — Wikipedia — Google

CAS Number: 85199-01-5

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 7.16 -42.19 3 3 1 45 296.39 2 ↓
Mid Mid (pH 6-8) 3.77 4.97 -8.32 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 340 0.41 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.55 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.55 Functional ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.55 Functional ≤ 10μM
DRD4-1-E Dopamine D4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.55 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.55 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 1995 0.36 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 1 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 340 0.41 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 0.8 0.58 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 340 0.41 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 0.8 0.58 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 1.5 0.56 Functional ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 1.5 0.56 Functional ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 1.5 0.56 Functional ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 1.5 0.56 Functional ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 1.5 0.56 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 1995.26231 0.36 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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