UCSF

ZINC00007459

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 20 Yes

Popular Name: U 99194 maleate U 99194 maleate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1217227-99-0 , 153570-58-2 , 234757-41-6 , [234757-41-6]

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) 3.51 9.29 -42.52 1 3 1 23 278.416 7 ↓
Hi High (pH 8-9.5) 3.51 7.27 -5.25 0 3 0 22 277.408 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 31 0.53 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 992 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 992 0.42 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 31 0.53 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 992 0.42 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 31 0.53 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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