UCSF

ZINC03646006

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 22 No

Other Names:

2-methoxyapomorphine

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) 2.90 -1.73 -46.2 3 4 1 54 298.362 1

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 2600 0.36 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 16 0.50 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 16 0.50 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 74 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 1.12 0.57 Binding ≤ 1μM
DRD1_MOUSE Q61616 Dopamine D1 Receptor, Mouse 2600 0.36 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 10000 0.32 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 1.12 0.57 Binding ≤ 10μM
DRD1_BOVIN Q95136 Dopamine D1 Receptor, Bovin 16.4 0.50 Functional ≤ 10μM
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 16.4 0.50 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% )